2-[[4-[(5-nitropyridin-2-yl)amino]cyclohexyl]amino]-3-oxidanylidene-3-pyrrolidin-2-yl-propanenitrile

Systemtic Name: 2-[[4-[(5-nitropyridin-2-yl)amino]cyclohexyl]amino]-3-oxidanylidene-3-pyrrolidin-2-yl-propanenitrile Openeye Name: 2-[[4-[(5-nitro-2-pyridyl)amino]cyclohexyl]amino]-3-oxo-3-pyrrolidin-2-yl-propanenitrile CAS Name: 2-[[4-[(5-nitro-2-pyridinyl)amino]cyclohexyl]amino]-3-oxo-3-(2-pyrrolidinyl)propanenitrile IUPAC Name: 2-[[4-[(5-nitropyridin-2-yl)amino]cyclohexyl]amino]-3-oxo-3-pyrrolidin-2-ylpropanenitrile Traditional Name: 3-keto-2-[[4-[(5-nitro-2-pyridyl)amino]cyclohexyl]amino]-3-pyrrolidin-2-yl-propionitrile Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)C(C#N)NC2CCC(CC2)NC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(NC1)C(=O)C(C#N)NC2CCC(CC2)NC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O3/c19-10-16(18(25)15-2-1-9-20-15)22-12-3-5-13(6-4-12)23-17-8-7-14(11-21-17)24(26)27/h7-8,11-13,15-16,20,22H,1-6,9H2,(H,21,23)