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

Systemtic Name: (2S)-1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: (2S)-1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: (2S)-1-(1-azepanyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: (2S)-1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: (2S)-1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazino]-2-phenyl-butan-1-one Formula: C27H37N3O2 MolecularWeight: 434.602314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C(=O)N4CCCCCC4

Isomeric SMILES

[11CH3]OC1=CC=CC=C1N2CCN(CC2)CC[C@@H](C3=CC=CC=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H37N3O2/c1-32-26-14-8-7-13-25(26)29-21-19-28(20-22-29)18-15-24(23-11-5-4-6-12-23)27(31)30-16-9-2-3-10-17-30/h4-8,11-14,24H,2-3,9-10,15-22H2,1H3/t24-/m0/s1/i1-1