1-[(4-methylphenyl)methyl]-4-(3-nitropyridin-2-yl)-1,4-diazepane

Systemtic Name: 1-[(4-methylphenyl)methyl]-4-(3-nitropyridin-2-yl)-1,4-diazepane Openeye Name: 1-(3-nitro-2-pyridyl)-4-(p-tolylmethyl)-1,4-diazepane CAS Name: 1-[(4-methylphenyl)methyl]-4-(3-nitro-2-pyridinyl)-1,4-diazepane IUPAC Name: 1-[(4-methylphenyl)methyl]-4-(3-nitropyridin-2-yl)-1,4-diazepane Traditional Name: 1-(4-methylbenzyl)-4-(3-nitro-2-pyridyl)-1,4-diazepane Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O2/c1-15-5-7-16(8-6-15)14-20-10-3-11-21(13-12-20)18-17(22(23)24)4-2-9-19-18/h2,4-9H,3,10-14H2,1H3