4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 3-nitro-4-[4-(o-tolylmethyl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(2-methylbenzyl)piperazino]-3-nitro-benzonitrile Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O2/c1-15-4-2-3-5-17(15)14-21-8-10-22(11-9-21)18-7-6-16(13-20)12-19(18)23(24)25/h2-7,12H,8-11,14H2,1H3