4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 3-nitro-4-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]benzonitrile CAS Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitrobenzonitrile IUPAC Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]-3-nitro-benzonitrile Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O2/c1-16-3-5-17(6-4-16)15-22-9-2-10-23(12-11-22)19-8-7-18(14-21)13-20(19)24(25)26/h3-8,13H,2,9-12,15H2,1H3