2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]benzonitrile CAS Name: 2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]-5-nitro-benzonitrile Formula: C20H22N4O2 MolecularWeight: 350.41428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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