1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-azepin-1-yl]butan-1-one

Systemtic Name: 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-azepin-1-yl]butan-1-one Openeye Name: 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-azepin-1-yl]butan-1-one CAS Name: 1-[3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-phenyl-1-azepinyl]-1-butanone IUPAC Name: 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylazepin-1-yl]butan-1-one Traditional Name: 1-[3-[4-(2-methoxyphenyl)piperazino]-2-phenyl-azepin-1-yl]butan-1-one Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C=CC=CC(=C1C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCCC(=O)N1C=CC=CC(=C1C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4OC

InChI

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