(E)-1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenyl-but-2-en-1-one

Systemtic Name: (E)-1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenyl-but-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenyl-but-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-phenyl-2-buten-1-one IUPAC Name: (E)-1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylbut-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-4-[4-(2-methoxyphenyl)piperazino]-3-phenyl-but-2-en-1-one Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC(=CC(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C/C(=C/C(=O)N3CCCCCC3)/C4=CC=CC=C4

InChI

InChI=1S/C27H35N3O2/c1-32-26-14-8-7-13-25(26)29-19-17-28(18-20-29)22-24(23-11-5-4-6-12-23)21-27(31)30-15-9-2-3-10-16-30/h4-8,11-14,21H,2-3,9-10,15-20,22H2,1H3/b24-21-