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

Systemtic Name: [4-[[(4-methoxy-3-nitro-phenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine Openeye Name: [4-[[(4-methoxy-3-nitro-phenyl)methyl-(4-pyridylmethyl)amino]methyl]cyclohexyl]methanamine CAS Name: [4-[[(4-methoxy-3-nitrophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine IUPAC Name: [4-[[(4-methoxy-3-nitrophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-(4-methoxy-3-nitro-benzyl)-(4-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=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3/c1-29-22-7-6-20(12-21(22)26(27)28)16-25(15-19-8-10-24-11-9-19)14-18-4-2-17(13-23)3-5-18/h6-12,17-18H,2-5,13-16,23H2,1H3