1-[(3-chlorophenyl)methyl]-5-[4-(4-ethanoylphenyl)piperazin-1-yl]azepan-2-one

Systemtic Name: 1-[(3-chlorophenyl)methyl]-5-[4-(4-ethanoylphenyl)piperazin-1-yl]azepan-2-one Openeye Name: 5-[4-(4-acetylphenyl)piperazin-1-yl]-1-[(3-chlorophenyl)methyl]azepan-2-one CAS Name: 5-[4-(4-acetylphenyl)-1-piperazinyl]-1-[(3-chlorophenyl)methyl]-2-azepanone IUPAC Name: 5-[4-(4-acetylphenyl)piperazin-1-yl]-1-[(3-chlorophenyl)methyl]azepan-2-one Traditional Name: 5-[4-(4-acetylphenyl)piperazino]-1-(3-chlorobenzyl)azepan-2-one Formula: C25H30ClN3O2 MolecularWeight: 439.9776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3CCC(=O)N(CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3CCC(=O)N(CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H30ClN3O2/c1-19(30)21-5-7-23(8-6-21)27-13-15-28(16-14-27)24-9-10-25(31)29(12-11-24)18-20-3-2-4-22(26)17-20/h2-8,17,24H,9-16,18H2,1H3