5-nitro-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile

Systemtic Name: 5-nitro-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile Openeye Name: 5-nitro-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile CAS Name: 5-nitro-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-diazepan-1-yl]-3-pyridinecarbonitrile IUPAC Name: 5-nitro-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(2-keto-2-pyrrolidino-ethyl)-1,4-diazepan-1-yl]-5-nitro-nicotinonitrile Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCCN(CC2)C3=NC=C(C=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCCN(CC2)C3=NC=C(C=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O3/c18-11-14-10-15(23(25)26)12-19-17(14)22-7-3-4-20(8-9-22)13-16(24)21-5-1-2-6-21/h10,12H,1-9,13H2