4-[[[4-(aminomethyl)cyclohexyl]methyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[4-(aminomethyl)cyclohexyl]methyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[4-(aminomethyl)cyclohexyl]methyl-[(4-methoxy-3-nitro-phenyl)methyl]amino]methyl]benzonitrile CAS Name: 4-[[[4-(aminomethyl)cyclohexyl]methyl-[(4-methoxy-3-nitrophenyl)methyl]amino]methyl]benzonitrile IUPAC Name: 4-[[[4-(aminomethyl)cyclohexyl]methyl-[(4-methoxy-3-nitrophenyl)methyl]amino]methyl]benzonitrile Traditional Name: 4-[[[4-(aminomethyl)cyclohexyl]methyl-(4-methoxy-3-nitro-benzyl)amino]methyl]benzonitrile Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2CCC(CC2)CN)CC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2CCC(CC2)CN)CC3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O3/c1-31-24-11-10-22(12-23(24)28(29)30)17-27(15-20-6-2-18(13-25)3-7-20)16-21-8-4-19(14-26)5-9-21/h2-3,6-7,10-12,19,21H,4-5,8-9,14-17,26H2,1H3