1-(azepan-1-yl)-4-[4-(3-methoxythiophen-2-yl)piperidin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-[4-(3-methoxythiophen-2-yl)piperidin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-(azepan-1-yl)-4-[4-(3-methoxy-2-thienyl)-1-piperidyl]-2-phenyl-butan-1-one CAS Name: 1-(1-azepanyl)-4-[4-(3-methoxy-2-thiophenyl)-1-piperidinyl]-2-phenyl-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-[4-(3-methoxythiophen-2-yl)piperidin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-(azepan-1-yl)-4-[4-(3-methoxy-2-thienyl)piperidino]-2-phenyl-butan-1-one Formula: C26H36N2O2S MolecularWeight: 440.64124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1)C2CCN(CC2)CCC(C3=CC=CC=C3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(SC=C1)C2CCN(CC2)CCC(C3=CC=CC=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C26H36N2O2S/c1-30-24-14-20-31-25(24)22-11-17-27(18-12-22)19-13-23(21-9-5-4-6-10-21)26(29)28-15-7-2-3-8-16-28/h4-6,9-10,14,20,22-23H,2-3,7-8,11-13,15-19H2,1H3