1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2-methoxy-5-methyl-phenyl)butane-1,4-dione

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2-methoxy-5-methyl-phenyl)butane-1,4-dione Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2-methoxy-5-methyl-phenyl)butane-1,4-dione CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-4-(2-methoxy-5-methylphenyl)butane-1,4-dione IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2-methoxy-5-methylphenyl)butane-1,4-dione Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-4-(2-methoxy-5-methyl-phenyl)butane-1,4-dione Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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