1-(5-nitropyridin-2-yl)-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-(5-nitropyridin-2-yl)-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-(5-nitro-2-pyridyl)-1,4-diazepane CAS Name: 1-(5-nitro-2-pyridinyl)-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-(5-nitropyridin-2-yl)-1,4-diazepane Traditional Name: 1-benzyl-4-(5-nitro-2-pyridyl)-1,4-diazepane Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2/c22-21(23)16-7-8-17(18-13-16)20-10-4-9-19(11-12-20)14-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12,14H2