4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-3-nitro-benzamide

Systemtic Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-3-nitro-benzamide Openeye Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(m-tolyl)-3-nitro-benzamide CAS Name: 4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-N-(3-methylphenyl)-3-nitrobenzamide IUPAC Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(3-methylphenyl)-3-nitrobenzamide Traditional Name: 4-[4-(2,5-dimethylphenyl)piperazino]-N-(m-tolyl)-3-nitro-benzamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=C(C=CC(=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=C(C=CC(=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H28N4O3/c1-18-5-4-6-22(15-18)27-26(31)21-9-10-23(25(17-21)30(32)33)28-11-13-29(14-12-28)24-16-19(2)7-8-20(24)3/h4-10,15-17H,11-14H2,1-3H3,(H,27,31)