4-[5-(1-benzothiophen-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cycloheptyl-2-pyridin-2-yl-butan-1-one

Systemtic Name: 4-[5-(1-benzothiophen-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cycloheptyl-2-pyridin-2-yl-butan-1-one Openeye Name: 4-[5-(benzothiophen-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cycloheptyl-2-(2-pyridyl)butan-1-one CAS Name: 4-[5-(1-benzothiophen-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cycloheptyl-2-(2-pyridinyl)-1-butanone IUPAC Name: 4-[5-(1-benzothiophen-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cycloheptyl-2-pyridin-2-ylbutan-1-one Traditional Name: 4-[5-(benzothiophen-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cycloheptyl-2-(2-pyridyl)butan-1-one Formula: C30H36N2OS MolecularWeight: 472.68464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(=O)C(CCN2CCCC(=CC2)C3=CC=CC4=C3SC=C4)C5=CC=CC=N5

Isomeric SMILES

C1CCCC(CC1)C(=O)C(CCN2CCCC(=CC2)C3=CC=CC4=C3SC=C4)C5=CC=CC=N5

InChI

InChI=1S/C30H36N2OS/c33-29(24-9-3-1-2-4-10-24)27(28-14-5-6-18-31-28)16-21-32-19-8-12-23(15-20-32)26-13-7-11-25-17-22-34-30(25)26/h5-7,11,13-15,17-18,22,24,27H,1-4,8-10,12,16,19-21H2