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

Systemtic Name: 4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-(m-tolylmethyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: 4-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: 4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-(3-methylbenzyl)piperazino]-3-nitro-benzamide Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3/c1-14-3-2-4-15(11-14)13-21-7-9-22(10-8-21)17-6-5-16(19(20)24)12-18(17)23(25)26/h2-6,11-12H,7-10,13H2,1H3,(H2,20,24)