[4-[[(4-methoxy-3-nitro-phenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]cyclohexyl]methanamine

Systemtic Name: [4-[[(4-methoxy-3-nitro-phenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]cyclohexyl]methanamine Openeye Name: [4-[[(4-methoxy-3-nitro-phenyl)methyl-(3-pyridylmethyl)amino]methyl]cyclohexyl]methanamine CAS Name: [4-[[(4-methoxy-3-nitrophenyl)methyl-(3-pyridinylmethyl)amino]methyl]cyclohexyl]methanamine IUPAC Name: [4-[[(4-methoxy-3-nitrophenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]cyclohexyl]methanamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-(4-methoxy-3-nitro-benzyl)-(3-pyridylmethyl)amine Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3/c1-29-22-9-8-19(11-21(22)26(27)28)15-25(16-20-3-2-10-24-13-20)14-18-6-4-17(12-23)5-7-18/h2-3,8-11,13,17-18H,4-7,12,14-16,23H2,1H3