3-[[[4-(aminomethyl)phenyl]methyl-[(4-nitrophenyl)methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[[4-(aminomethyl)phenyl]methyl-[(4-nitrophenyl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 3-[[[4-(aminomethyl)phenyl]methyl-[(4-nitrophenyl)methyl]amino]methyl]benzonitrile CAS Name: 3-[[[4-(aminomethyl)phenyl]methyl-[(4-nitrophenyl)methyl]amino]methyl]benzonitrile IUPAC Name: 3-[[[4-(aminomethyl)phenyl]methyl-[(4-nitrophenyl)methyl]amino]methyl]benzonitrile Traditional Name: 3-[[[4-(aminomethyl)benzyl]-(4-nitrobenzyl)amino]methyl]benzonitrile Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN(CC2=CC=C(C=C2)CN)CC3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN(CC2=CC=C(C=C2)CN)CC3=CC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C23H22N4O2/c24-13-18-4-6-19(7-5-18)15-26(17-22-3-1-2-21(12-22)14-25)16-20-8-10-23(11-9-20)27(28)29/h1-12H,13,15-17,24H2