1-[(2-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazin-1-yl]azepan-2-one

Systemtic Name: 1-[(2-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazin-1-yl]azepan-2-one Openeye Name: 1-[(2-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazin-1-yl]azepan-2-one CAS Name: 1-[(2-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)-1-piperazinyl]-2-azepanone IUPAC Name: 1-[(2-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazin-1-yl]azepan-2-one Traditional Name: 1-(2-chlorobenzyl)-5-[4-(2,4-dimethylphenyl)piperazino]azepan-2-one Formula: C25H32ClN3O MolecularWeight: 425.99408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C3CCC(=O)N(CC3)CC4=CC=CC=C4Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C3CCC(=O)N(CC3)CC4=CC=CC=C4Cl)C

InChI

InChI=1S/C25H32ClN3O/c1-19-7-9-24(20(2)17-19)28-15-13-27(14-16-28)22-8-10-25(30)29(12-11-22)18-21-5-3-4-6-23(21)26/h3-7,9,17,22H,8,10-16,18H2,1-2H3