2-[[4-(2,3-dihydro-1H-pyrrolo[3,4-b]pyridin-2-ylcarbonyl)cyclohexyl]amino]-3-oxidanylidene-3-pyrrolidin-2-yl-propanenitrile

Systemtic Name: 2-[[4-(2,3-dihydro-1H-pyrrolo[3,4-b]pyridin-2-ylcarbonyl)cyclohexyl]amino]-3-oxidanylidene-3-pyrrolidin-2-yl-propanenitrile Openeye Name: 2-[[4-(2,3-dihydro-1H-pyrrolo[3,4-b]pyridine-2-carbonyl)cyclohexyl]amino]-3-oxo-3-pyrrolidin-2-yl-propanenitrile CAS Name: 2-[[4-[2,3-dihydro-1H-pyrrolo[3,4-b]pyridin-2-yl(oxo)methyl]cyclohexyl]amino]-3-oxo-3-(2-pyrrolidinyl)propanenitrile IUPAC Name: 2-[[4-(2,3-dihydro-1H-pyrrolo[3,4-b]pyridine-2-carbonyl)cyclohexyl]amino]-3-oxo-3-pyrrolidin-2-ylpropanenitrile Traditional Name: 2-[[4-(2,3-dihydro-1H-pyrrolo[3,4-b]pyridine-2-carbonyl)cyclohexyl]amino]-3-keto-3-pyrrolidin-2-yl-propionitrile Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)C(C#N)NC2CCC(CC2)C(=O)C3CC=C4C=NC=C4N3

Isomeric SMILES

C1CC(NC1)C(=O)C(C#N)NC2CCC(CC2)C(=O)C3CC=C4C=NC=C4N3

InChI

InChI=1S/C21H27N5O2/c22-10-18(21(28)16-2-1-9-24-16)25-15-6-3-13(4-7-15)20(27)17-8-5-14-11-23-12-19(14)26-17/h5,11-13,15-18,24-26H,1-4,6-9H2