1-(3,4-dimethylphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(3,4-dimethylphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-benzylpiperazin-1-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione CAS Name: 1-(3,4-dimethylphenyl)-4-[4-(phenylmethyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-benzylpiperazin-1-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione Traditional Name: 1-(4-benzylpiperazino)-4-(3,4-dimethylphenyl)butane-1,4-dione Formula: C23H28N2O2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O2/c1-18-8-9-21(16-19(18)2)22(26)10-11-23(27)25-14-12-24(13-15-25)17-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3