1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]azepin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]azepin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]azepin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-azepinyl]-2-phenyl-1-butanone IUPAC Name: 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]azepin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[2-[4-(2-methoxyphenyl)piperazino]azepin-1-yl]-2-phenyl-butan-1-one Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2C=CC=CC=C2N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2C=CC=CC=C2N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C27H31N3O2/c1-3-23(22-12-6-4-7-13-22)27(31)30-17-11-5-8-16-26(30)29-20-18-28(19-21-29)24-14-9-10-15-25(24)32-2/h4-17,23H,3,18-21H2,1-2H3