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Benzazepines

Description:

Organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
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  1. GSK2646264
    IUPAC Name:  7-{2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl}-2,3,4,5,5a,9a-hexahydro-1H-3-benzazepine
    SMILES:  COc1cccc(c1C1=CC2C(C=C1)CCNCC2)OCc1nccc(c1)C
    InChIKey: CQLSAYKHANAIMX-UHFFFAOYSA-N
    InChI:  InChI=1S/C24H28N2O2/c1-17-8-13-26-21(14-17)16-28-23-5-3-4-22(27-2)24(23)20-7-6-18-9-11-25-12-10-19(18)15-20/h3-8,13-15,18-19,25H,9-12,16H2,1-2H3
    Synonyms: compound 44
  2. EC18
    IUPAC Name:  3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]cyclohexyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
    SMILES:  COc1ccc(cc1OC)CCN(C1CCCC(C1)N1CCc2c(CC1=O)cc(c(c2)OC)OC)C
    InChIKey: IUAVZEYOWYFRAS-UHFFFAOYSA-N
    InChI:  InChI=1S/C29H40N2O5/c1-30(13-11-20-9-10-25(33-2)26(15-20)34-3)23-7-6-8-24(19-23)31-14-12-21-16-27(35-4)28(36-5)17-22(21)18-29(31)32/h9-10,15-17,23-24Hshow more
  3. EM-TBPC
    IUPAC Name:  1-ethyl-2-methyl-6-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)-1,6-dihydropyrimidine-5-carbonitrile
    SMILES:  CCn1c(C)nc(c(c1=O)C#N)N1CCc2c(CC1)cccc2
    InChIKey: QNUVWRAGDSGAKX-UHFFFAOYSA-N
    InChI:  InChI=1S/C18H20N4O/c1-3-22-13(2)20-17(16(12-19)18(22)23)21-10-8-14-6-4-5-7-15(14)9-11-21/h4-7H,3,8-11H2,1-2H3
  4. CSTI-300
    SMILES:  O=C1N(CCc2c3c1cccc3n[nH]2)[C@@H]1CN2CCC1CC2
    InChIKey: WHLXDRXTKZLGFK-OAHLLOKOSA-N
    InChI:  InChI=1S/C17H20N4O/c22-17-12-2-1-3-13-16(12)14(19-18-13)6-9-21(17)15-10-20-7-4-11(15)5-8-20/h1-3,11,15H,4-10H2,(H,18,19)/t15-/m1/s1
  5. CP-601927
    Cas Number: 357425-02-6        Compound CID:  11498153
    SMILES:  FC(c1ccc2c(c1)[C@H]1CNC[C@@H]2C1)(F)F
    InChIKey: RNOBTWYQAWEZHH-JGVFFNPUSA-N
    InChI:  InChI=1S/C12H12F3N/c13-12(14,15)9-1-2-10-7-3-8(6-16-5-7)11(10)4-9/h1-2,4,7-8,16H,3,5-6H2/t7-,8+/m0/s1
    Synonyms: AKOS040751290 | CP 601927 | BDBM50045045 | RNOBTWYQAWEZHH-JGVFFNPUSA-N | (1r,5s)-7-(trifluoromethyl)-2,3,4,5-tetrahyd...
  6. 2-[[5-chloro-2-[(1-ethyl-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepin-8-yl)amino]pyrimidin-4-yl]amino]-3-fluoro-N-methylbenzamide
    IUPAC Name:  2-[[5-chloro-2-[(1-ethyl-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepin-8-yl)amino]pyrimidin-4-yl]amino]-3-fluoro-N-methylbenzamide
    SMILES:  CNC(=O)c1cccc(c1Nc1nc(ncc1Cl)Nc1ccc2c(c1)N(CC)C(=O)CCC2(C)C)F
    InChIKey: KHBUKOVUBUJCGM-UHFFFAOYSA-N
    InChI:  InChI=1S/C26H28ClFN6O2/c1-5-34-20-13-15(9-10-17(20)26(2,3)12-11-21(34)35)31-25-30-14-18(27)23(33-25)32-22-16(24(36)29-4)7-6-8-19(22)28/h6-10,13-14H,5,show more
    Synonyms: compound 27
  7. 1-tert-butyl-N-[8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]triazole-4-carboxamide
    IUPAC Name:  1-tert-butyl-N-[8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]triazole-4-carboxamide
    SMILES:  Cn1ncc(c1)Nc1nccc(n1)c1ccc2c(c1)CN(CCC2NC(=O)c1nnn(c1)C(C)(C)C)C1COC1
    InChIKey: JSAQBOQCZJHWMA-UHFFFAOYSA-N
    InChI:  InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20show more
    Synonyms: compound 71
  8. (1S,2S,3R,4R)-3-[[5-chloro-2-[(1-ethyl-6-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
    IUPAC Name:  (1S,2S,3R,4R)-3-[[5-chloro-2-[(1-ethyl-6-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamshow more
    SMILES:  CCN1C(=O)CCCc2c1ccc(c2OC)Nc1ncc(c(n1)N[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)N)C2)Cl
    InChIKey: GLGNXYJARSMNGJ-VKTIVEEGSA-N
    InChI:  InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-2show more
    Synonyms: compound 15
  9. (-)-SKF-82526
    IUPAC Name:  (1R)-6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
    SMILES:  Oc1ccc(cc1)[C@H]1CNCCc2c1cc(O)c(c2Cl)O
    InChIKey: TVURRHSHRRELCG-CYBMUJFWSA-N
    InChI:  InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2/t13-/m1/s1
    Synonyms: Fenoldopam, (R)-|(R)-Fenoldopam|(+)-Fenoldopam|(R)-(+)-Fenoldopam|Y9ESM282DO|(R)-SKF-82526|UNII-Y9ESM282DO|(-)-SKF-82...
  10. (+)-SCH-23390
    IUPAC Name:  (1S)-7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
    SMILES:  CN1CCc2c([C@@H](C1)c1ccccc1)cc(c(c2)Cl)O
    InChIKey: GOTMKOSCLKVOGG-HNNXBMFYSA-N
    InChI:  InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m0/s1
    Synonyms: 73445-63-3|(+)-SCH-23390|(1S)-7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol|(5S)-8-chloro-3-methyl-...
  11. 3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one
      Grade & Purity: 
    • ≥97%
    Cas Number: 85175-59-3        EC Number: ‘617-684-7
    Formula:  C15H18ClNO3        Molecular Weight: 295.76
    IUPAC Name:  3-(3-chloropropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one
    SMILES:  COC1=C(C=C2C=CN(C(=O)CC2=C1)CCCCl)OC
    InChIKey: ODEZTTCXWTUAJT-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H18ClNO3/c1-19-13-8-11-4-7-17(6-3-5-16)15(18)10-12(11)9-14(13)20-2/h4,7-9H,3,5-6,10H2,1-2H3
    Synonyms: 1-(7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-on-3-yl) -3-chloro propane | 3-(3-Chloropropyl)-7,8-dimetho?xy-1,3-dih...
  12. 4,5-Dihydro-1H-benzo[b]azepin-2(3H)-one
      Grade & Purity: 
    • ≥97%
    Cas Number: 4424-80-0        EC Number: 688-773-6
    Formula:  C10H11NO        Molecular Weight: 161.2
    IUPAC Name:  1,3,4,5-tetrahydro-1-benzazepin-2-one
    SMILES:  C1CC2=CC=CC=C2NC(=O)C1
    InChIKey: HRVRAYIYXRVAPR-UHFFFAOYSA-N
    InChI:  InChI=1S/C10H11NO/c12-10-7-3-5-8-4-1-2-6-9(8)11-10/h1-2,4,6H,3,5,7H2,(H,11,12)
    Synonyms: 1,3,4,5-tetrahydro-[1]benzazepin-2-one | 1,3,4,5-Tetrahydro-1- benzazepin-2-one | 1,3,4,5-tetrahydro-2H-1-benzazepin-...
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