N'-[(3,5-dimethylpyridin-2-yl)methyl]-N-[(4-nitropyridin-2-yl)methyl]butane-1,4-diamine

Systemtic Name: N'-[(3,5-dimethylpyridin-2-yl)methyl]-N-[(4-nitropyridin-2-yl)methyl]butane-1,4-diamine Openeye Name: N'-[(3,5-dimethyl-2-pyridyl)methyl]-N-[(4-nitro-2-pyridyl)methyl]butane-1,4-diamine CAS Name: N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N-[(4-nitro-2-pyridinyl)methyl]butane-1,4-diamine IUPAC Name: N'-[(3,5-dimethylpyridin-2-yl)methyl]-N-[(4-nitropyridin-2-yl)methyl]butane-1,4-diamine Traditional Name: (3,5-dimethyl-2-pyridyl)methyl-[4-[(4-nitro-2-pyridyl)methylamino]butyl]amine Formula: C18H25N5O2 MolecularWeight: 343.4234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1)CNCCCCNCC2=NC=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(N=C1)CNCCCCNCC2=NC=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H25N5O2/c1-14-9-15(2)18(22-11-14)13-20-7-4-3-6-19-12-16-10-17(23(24)25)5-8-21-16/h5,8-11,19-20H,3-4,6-7,12-13H2,1-2H3