4-[4-(1-benzothiophen-7-yl)-2-methyl-piperidin-1-yl]-1-cyclohexyl-2-pyridin-2-yl-butan-1-one

Systemtic Name: 4-[4-(1-benzothiophen-7-yl)-2-methyl-piperidin-1-yl]-1-cyclohexyl-2-pyridin-2-yl-butan-1-one Openeye Name: 4-[4-(benzothiophen-7-yl)-2-methyl-1-piperidyl]-1-cyclohexyl-2-(2-pyridyl)butan-1-one CAS Name: 4-[4-(1-benzothiophen-7-yl)-2-methyl-1-piperidinyl]-1-cyclohexyl-2-(2-pyridinyl)-1-butanone IUPAC Name: 4-[4-(1-benzothiophen-7-yl)-2-methylpiperidin-1-yl]-1-cyclohexyl-2-pyridin-2-ylbutan-1-one Traditional Name: 4-[4-(benzothiophen-7-yl)-2-methyl-piperidino]-1-cyclohexyl-2-(2-pyridyl)butan-1-one Formula: C29H36N2OS MolecularWeight: 460.67394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1CCC(C2=CC=CC=N2)C(=O)C3CCCCC3)C4=CC=CC5=C4SC=C5

Isomeric SMILES

CC1CC(CCN1CCC(C2=CC=CC=N2)C(=O)C3CCCCC3)C4=CC=CC5=C4SC=C5

InChI

InChI=1S/C29H36N2OS/c1-21-20-24(25-11-7-10-23-15-19-33-29(23)25)13-17-31(21)18-14-26(27-12-5-6-16-30-27)28(32)22-8-3-2-4-9-22/h5-7,10-12,15-16,19,21-22,24,26H,2-4,8-9,13-14,17-18,20H2,1H3