1-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one

Systemtic Name: 1-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one Openeye Name: 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one CAS Name: 1-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-3-(3,5-dimethylphenoxy)-1-propanone IUPAC Name: 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one Traditional Name: 1-[4-(4-chlorobenzoyl)piperazino]-3-(3,5-dimethylphenoxy)propan-1-one Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H25ClN2O3/c1-16-13-17(2)15-20(14-16)28-12-7-21(26)24-8-10-25(11-9-24)22(27)18-3-5-19(23)6-4-18/h3-6,13-15H,7-12H2,1-2H3