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

Systemtic Name: 1-(2-methoxy-5-methyl-phenyl)-4-[4-(phenylmethyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-benzylpiperazin-1-yl)-4-(2-methoxy-5-methyl-phenyl)butane-1,4-dione CAS Name: 1-(2-methoxy-5-methylphenyl)-4-[4-(phenylmethyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-benzylpiperazin-1-yl)-4-(2-methoxy-5-methylphenyl)butane-1,4-dione Traditional Name: 1-(4-benzylpiperazino)-4-(2-methoxy-5-methyl-phenyl)butane-1,4-dione Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3/c1-18-8-10-22(28-2)20(16-18)21(26)9-11-23(27)25-14-12-24(13-15-25)17-19-6-4-3-5-7-19/h3-8,10,16H,9,11-15,17H2,1-2H3