Azepines

Description:

Organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Azepines

1-tert-Butyl 4-ethyl 2，3，6，7-tetrahydro-1H-azepine-1，4-dicarboxylate
- ≥95%
Cas Number: 912444-89-4 Compound CID: 25194565

Formula: C₁₄H₂₃NO₄ Molecular Weight: 269.34

IUPAC Name: 1-O-tert-butyl 4-O-ethyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate

SMILES: CCOC(=O)C1=CCCN(CC1)C(=O)OC(C)(C)C

InChIKey: OQQBVXIIESRTAD-UHFFFAOYSA-N

InChI: InChI=1S/C14H23NO4/c1-5-18-12(16)11-7-6-9-15(10-8-11)13(17)19-14(2,3)4/h7H,5-6,8-10H2,1-4H3
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(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methanamine
- ≥95%
Cas Number: 885461-42-7 Compound CID: 4961908

Formula: C₈H₁₄N₄ Molecular Weight: 166.23

IUPAC Name: 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethanamine

SMILES: C1CCC2=NN=C(N2CC1)CN

InChIKey: IACZAGXWNRNOBU-UHFFFAOYSA-N

InChI: InChI=1S/C8H14N4/c9-6-8-11-10-7-4-2-1-3-5-12(7)8/h1-6,9H2
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tert-Butyl 4-chloro-8，9-dihydro-5H-pyrimido[4，5-d]azepine-7(6H)-carboxylate
- ≥95%
Cas Number: 1057338-27-8 Compound CID: 39345748

Formula: C₁₃H₁₈ClN₃O₂ Molecular Weight: 283.75

IUPAC Name: tert-butyl 4-chloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate

SMILES: CC(C)(C)OC(=O)N1CCC2=C(CC1)N=CN=C2Cl

InChIKey: OWQQLMMARYLDAW-UHFFFAOYSA-N

InChI: InChI=1S/C13H18ClN3O2/c1-13(2,3)19-12(18)17-6-4-9-10(5-7-17)15-8-16-11(9)14/h8H,4-7H2,1-3H3
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tert-Butyl 2，3，6，7-tetrahydro-1H-azepine-1-carboxylate
- ≥98%
Cas Number: 317336-73-5 Compound CID: 12969195

Formula: C₁₁H₁₉NO₂ Molecular Weight: 197.278

IUPAC Name: tert-butyl 2,3,6,7-tetrahydroazepine-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1CCC=CCC1

InChIKey: XUNAYZIHVQJKGX-UHFFFAOYSA-N

InChI: InChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-8-6-4-5-7-9-12/h4-5H,6-9H2,1-3H3
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7，8-Dihydro-4H-thieno[3，2-b]azepin-5(6H)-one
- ≥98%
Cas Number: 4751-61-5 Compound CID: 870743

Formula: C₈H₉NOS Molecular Weight: 167.22

IUPAC Name: 4,6,7,8-tetrahydrothieno[3,2-b]azepin-5-one

SMILES: C1CC2=C(C=CS2)NC(=O)C1

InChIKey: JCPGPXIPUOJEBQ-UHFFFAOYSA-N

InChI: InChI=1S/C8H9NOS/c10-8-3-1-2-7-6(9-8)4-5-11-7/h4-5H,1-3H2,(H,9,10)
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2，5，6，7，8，9-hexahydro-3H-[1，2，4]triazolo[4，3-a]azepin-3-one
- ≥95%
Cas Number: 27182-43-0 Compound CID: 658233

Formula: C₇H₁₁N₃O Molecular Weight: 153.18

IUPAC Name: 2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-one

SMILES: C1CCC2=NNC(=O)N2CC1

InChIKey: LBVMECGJURCSOI-UHFFFAOYSA-N

InChI: InChI=1S/C7H11N3O/c11-7-9-8-6-4-2-1-3-5-10(6)7/h1-5H2,(H,9,11)
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tert-butyl 3-oxo-5,6,8,9-tetrahydro-2H-pyridazino[3,4-d]azepine-7-carboxylate
- ≥97%
Cas Number: 1190897-27-8 Compound CID: 86686513

Formula: C₁₃H₁₉N₃O₃ Molecular Weight: 265.31

SMILES: CC(C)(C)OC(=O)N1CCC2=CC(=O)NN=C2CC1

InChIKey: CCGVAOOSWUXOJY-UHFFFAOYSA-N

InChI: InChI=1S/C13H19N3O3/c1-13(2,3)19-12(18)16-6-4-9-8-11(17)15-14-10(9)5-7-16/h8H,4-7H2,1-3H3,(H,15,17)
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Azepexole
Cas Number: 36067-73-9 Compound CID: 2277

Formula: C₉H₁₅N₃O Molecular Weight: 181.23

IUPAC Name: 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine

SMILES: CCN1CCC2=C(CC1)OC(=N2)N

InChIKey: ZNXAJGZPUQOEDZ-UHFFFAOYSA-N

InChI: InChI=1S/C9H15N3O/c1-2-12-5-3-7-8(4-6-12)13-9(10)11-7/h2-6H2,1H3,(H2,10,11)

Synonyms: Azepexole | 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine | 6-ethyl-5,6,7,8-tetrahydro-4h-oxazolo[4,5-...

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5-(6-Chloro-3-pyridinyl)-9-azabicyclo[4.2.1]non-4-ene
Cas Number: 200432-88-8

Formula: C₁₃H₁₅ClN₂ Molecular Weight: 234.72

IUPAC Name: 2-(6-chloropyridin-3-yl)-9-azabicyclo[4.2.1]non-2-ene

SMILES: C1CC2CCC(N2)C(=C1)C3=CN=C(C=C3)Cl

InChIKey: TVSNVPGPFGAKPT-UHFFFAOYSA-N

InChI: InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2

Synonyms: 5-(6-chloro-3-pyridinyl)-9-azabicyclo[4.2.1]non-4-ene | UB-165 | 2-(6-CHLOROPYRIDIN-3-YL)-9-AZABICYCLO[4.2.1]NON-2-EN...

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3-(1-adamantyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Cas Number: 327093-42-5 Compound CID: 3630776

Formula: C₁₇H₂₅N₃ Molecular Weight: 271.4

IUPAC Name: 3-(1-adamantyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

SMILES: C1CCC2=NN=C(N2CC1)C34CC5CC(C3)CC(C5)C4

InChIKey: VFTQRHWULYJKCI-UHFFFAOYSA-N

InChI: InChI=1S/C17H25N3/c1-2-4-15-18-19-16(20(15)5-3-1)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2

Synonyms: 3-(1-adamantyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine | MERCK-544 | Merck 544 | 11ss-HSD1 inhibitor 544...

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2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
Cas Number: 1065110-62-4 Compound CID: 25070582

Formula: C₁₅H₁₇N₃ Molecular Weight: 239.32

IUPAC Name: 2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine

SMILES: C1CNCCC2=NC(=NC=C21)CC3=CC=CC=C3

InChIKey: CZWQBSKNHUVZLI-UHFFFAOYSA-N

InChI: InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2

Synonyms: 2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine | PF-3246799 | PF-03246799 | CZWQBSKNHUVZLI-UHFFFAOYSA-N | BDBM...

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6-azabicyclo[3.2.0]hept-3-en-7-one
- ≥97%
Cas Number: 63838-48-2 Compound CID: 6454737

Formula: C₆H₇NO Molecular Weight: 109.13

IUPAC Name: 6-azabicyclo[3.2.0]hept-3-en-7-one

SMILES: C1C=CC2C1C(=O)N2

InChIKey: HGDDVGDYVZZSGO-UHFFFAOYSA-N

InChI: InChI=1S/C6H7NO/c8-6-4-2-1-3-5(4)7-6/h1,3-5H,2H2,(H,7,8)

Synonyms: PS-16670 | AKOS006347273 | F85985 | DTXSID30980482 | 6-azabicyclo[3.2.0]hept-3-en-7-one | 2-Abheo | SCHEMBL3019497 | ...
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