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

Systemtic Name: 1-[4-(2-methoxyphenyl)-2-piperazin-1-yl-azepin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(2-methoxyphenyl)-2-piperazin-1-yl-azepin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-(2-methoxyphenyl)-2-(1-piperazinyl)-1-azepinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-(2-methoxyphenyl)-2-piperazin-1-ylazepin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(2-methoxyphenyl)-2-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=C(C=C2N3CCNCC3)C4=CC=CC=C4OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2C=CC=C(C=C2N3CCNCC3)C4=CC=CC=C4OC

InChI

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