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

Systemtic Name: 4-[5-(1-benzothiophen-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cyclohexyl-2-pyridin-2-yl-butan-1-one Openeye Name: 4-[5-(benzothiophen-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cyclohexyl-2-(2-pyridyl)butan-1-one CAS Name: 4-[5-(1-benzothiophen-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cyclohexyl-2-(2-pyridinyl)-1-butanone IUPAC Name: 4-[5-(1-benzothiophen-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cyclohexyl-2-pyridin-2-ylbutan-1-one Traditional Name: 4-[5-(benzothiophen-7-yl)-2,3,4,7-tetrahydroazepin-1-yl]-1-cyclohexyl-2-(2-pyridyl)butan-1-one Formula: C29H34N2OS MolecularWeight: 458.65806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(CCN2CCCC(=CC2)C3=CC=CC4=C3SC=C4)C5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)C(=O)C(CCN2CCCC(=CC2)C3=CC=CC4=C3SC=C4)C5=CC=CC=N5

InChI

InChI=1S/C29H34N2OS/c32-28(23-8-2-1-3-9-23)26(27-13-4-5-17-30-27)15-20-31-18-7-11-22(14-19-31)25-12-6-10-24-16-21-33-29(24)25/h4-6,10,12-14,16-17,21,23,26H,1-3,7-9,11,15,18-20H2