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Isoquinolines and derivatives
Description:
Aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
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Atracurium oxalateCas Number: 64228-78-0 Compound CID: 6454828Formula: C55H70N2O20 Molecular Weight: 1079.1IUPAC Name: show more
SMILES: COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)OCCCCCOC(=O)CCN4CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)OC)OC)OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)OInChIKey: NGJVDNJEQWIMBU-UHFFFAOYSA-NInChI: show more -
2-(2-Aminoethyl)-6-(Dimethylamino)-1H-Benz[De]Isoquinoline-1，3(2H)-DioneCas Number: 1051373-06-8 Compound CID: 71727552Formula: C16H17N3O2 Molecular Weight: 283.32IUPAC Name: 2-(2-aminoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dioneSMILES: CN(C)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCNInChIKey: IQKFJZKSENZCLN-UHFFFAOYSA-NInChI: InChI=1S/C16H17N3O2/c1-18(2)13-7-6-12-14-10(13)4-3-5-11(14)15(20)19(9-8-17)16(12)21/h3-7H,8-9,17H2,1-2H3
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2-(2-Aminoethyl)-6-(Dimethylamino)-1H-Benz[De]Isoquinoline-1，3(2H)-DioneCas Number: 1051373-06-8 Compound CID: 71727552Formula: C16H17N3O2 Molecular Weight: 283.32IUPAC Name: 2-(2-aminoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dioneSMILES: CN(C)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCNInChIKey: IQKFJZKSENZCLN-UHFFFAOYSA-NInChI: InChI=1S/C16H17N3O2/c1-18(2)13-7-6-12-14-10(13)4-3-5-11(14)15(20)19(9-8-17)16(12)21/h3-7H,8-9,17H2,1-2H3
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1-chloroisoquinoline-4-carboxylic acidCas Number: 1260794-26-0Formula: C10H6ClNO2 Molecular Weight: 207.6131SMILES: C1=CC=C2C(=C1)C(=CN=C2Cl)C(=O)OInChIKey: VAPWFBQHRVYUDV-UHFFFAOYSA-NInChI: InChI=1S/C10H6ClNO2/c11-9-7-4-2-1-3-6(7)8(5-12-9)10(13)14/h1-5H,(H,13,14)
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isoquinolinium chlorideCas Number: 21364-46-5Formula: C9H8ClN Molecular Weight: 165.6195SMILES: C1=CC=C2C=NC=CC2=C1.ClInChIKey: IYRMNDOLPONSCJ-UHFFFAOYSA-NInChI: InChI=1S/C9H7N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-7H;1H
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5-bromo-2-oxidoisoquinolin-2-iumCas Number: 223671-17-8Formula: C9H6BrNO Molecular Weight: 224.05SMILES: C1=CC2=C(C=C[N+](=C2)[O-])C(=C1)BrInChIKey: ZMMWTYNVRSUXFF-UHFFFAOYSA-NInChI: InChI=1S/C9H6BrNO/c10-9-3-1-2-7-6-11(12)5-4-8(7)9/h1-6H
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2-phenyl-3，4-dihydroisoquinolin-1-oneCas Number: 6772-51-6Formula: C15H13NO Molecular Weight: 223.27SMILES: C1CN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3InChIKey: NQUKHFQYUSVVBI-UHFFFAOYSA-NInChI: InChI=1S/C15H13NO/c17-15-14-9-5-4-6-12(14)10-11-16(15)13-7-2-1-3-8-13/h1-9H,10-11H2
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1，3(2H，4H)-Isoquinolinedione，6-amino-(9CI)Cas Number: 611187-09-8Formula: C9H8N2O2 Molecular Weight: 176.172SMILES: C1C2=C(C=CC(=C2)N)C(=O)NC1=OInChIKey: VTMMCRDPMMIBGP-UHFFFAOYSA-NInChI: InChI=1S/C9H8N2O2/c10-6-1-2-7-5(3-6)4-8(12)11-9(7)13/h1-3H,4,10H2,(H,11,12,13)
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(S，R)-Palonosetron HydrochlorideCas Number: 135729-76-9 Compound CID: 18651161IUPAC Name: (3aS)-2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochlorideSMILES: C1CC2CN(C(=O)C3=CC=CC(=C23)C1)C4CN5CCC4CC5.ClInChIKey: OLDRWYVIKMSFFB-KALLACGZSA-NInChI: InChI=1S/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17+;/m1./s1
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Ethaverine hydrochlorideCas Number: 985-13-7 Compound CID: 5702159Formula: C24H30ClNO4 Molecular Weight: 431.96IUPAC Name: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline;hydrochlorideSMILES: CCOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OCC)OCC)OCC.ClInChIKey: UPUDVKWQBVIKBG-UHFFFAOYSA-NInChI: InChI=1S/C24H29NO4.ClH/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;/h9-12,14-16H,5-8,13H2,1-4H3;1H
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7-Chloro-3，4-dihydroisoquinolin-1(2H)-oneCas Number: 22245-95-0 Compound CID: 18672397Formula: C9H8ClNO Molecular Weight: 181.62IUPAC Name: 7-chloro-3,4-dihydro-2H-isoquinolin-1-oneSMILES: C1CNC(=O)C2=C1C=CC(=C2)ClInChIKey: NMZRTRAYSHQMPR-UHFFFAOYSA-NInChI: InChI=1S/C9H8ClNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)
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7-Fluoro-3,4-dihydroisoquinolin-1(2H)-oneIUPAC Name: 7-fluoro-3,4-dihydro-2H-isoquinolin-1-oneSMILES: C1CNC(=O)C2=C1C=CC(=C2)FInChIKey: YEFGFHFWYZFNDW-UHFFFAOYSA-NInChI: InChI=1S/C9H8FNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)
