3-methyl-N-[4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-2-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=C(C=C3)NC(=O)C4=C(C(=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=C(C=C3)NC(=O)C4=C(C(=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C26H28N4O3/c1-19-5-3-7-23(17-19)29-15-13-28(14-16-29)18-21-9-11-22(12-10-21)27-26(31)24-8-4-6-20(2)25(24)30(32)33/h3-12,17H,13-16,18H2,1-2H3,(H,27,31)