N'-[(4-methoxy-3-nitro-phenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine

Systemtic Name: N'-[(4-methoxy-3-nitro-phenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine Openeye Name: N'-[(4-methoxy-3-nitro-phenyl)methyl]-N'-(4-pyridylmethyl)propane-1,3-diamine CAS Name: N'-[(4-methoxy-3-nitrophenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine IUPAC Name: N'-[(4-methoxy-3-nitrophenyl)methyl]-N'-(pyridin-4-ylmethyl)propane-1,3-diamine Traditional Name: 3-aminopropyl-(4-methoxy-3-nitro-benzyl)-(4-pyridylmethyl)amine Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCCN)CC2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCCN)CC2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O3/c1-24-17-4-3-15(11-16(17)21(22)23)13-20(10-2-7-18)12-14-5-8-19-9-6-14/h3-6,8-9,11H,2,7,10,12-13,18H2,1H3