[4-[[(4,5-dimethoxy-2-nitro-phenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine

Systemtic Name: [4-[[(4,5-dimethoxy-2-nitro-phenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine Openeye Name: [4-[[(4,5-dimethoxy-2-nitro-phenyl)methyl-(3-pyridylmethyl)amino]methyl]phenyl]methanamine CAS Name: [4-[[(4,5-dimethoxy-2-nitrophenyl)methyl-(3-pyridinylmethyl)amino]methyl]phenyl]methanamine IUPAC Name: [4-[[(4,5-dimethoxy-2-nitrophenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine Traditional Name: [4-(aminomethyl)benzyl]-(4,5-dimethoxy-2-nitro-benzyl)-(3-pyridylmethyl)amine Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN(CC2=CC=C(C=C2)CN)CC3=CN=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN(CC2=CC=C(C=C2)CN)CC3=CN=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H26N4O4/c1-30-22-10-20(21(27(28)29)11-23(22)31-2)16-26(15-19-4-3-9-25-13-19)14-18-7-5-17(12-24)6-8-18/h3-11,13H,12,14-16,24H2,1-2H3