2-[[4-(1,3-dihydroisoindol-2-ylcarbonyl)cyclohexyl]amino]-3-oxidanylidene-3-pyrrolidin-2-yl-propanenitrile

Systemtic Name: 2-[[4-(1,3-dihydroisoindol-2-ylcarbonyl)cyclohexyl]amino]-3-oxidanylidene-3-pyrrolidin-2-yl-propanenitrile Openeye Name: 2-[[4-(isoindoline-2-carbonyl)cyclohexyl]amino]-3-oxo-3-pyrrolidin-2-yl-propanenitrile CAS Name: 2-[[4-[1,3-dihydroisoindol-2-yl(oxo)methyl]cyclohexyl]amino]-3-oxo-3-(2-pyrrolidinyl)propanenitrile IUPAC Name: 2-[[4-(1,3-dihydroisoindole-2-carbonyl)cyclohexyl]amino]-3-oxo-3-pyrrolidin-2-ylpropanenitrile Traditional Name: 2-[[4-(isoindoline-2-carbonyl)cyclohexyl]amino]-3-keto-3-pyrrolidin-2-yl-propionitrile Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)C(C#N)NC2CCC(CC2)C(=O)N3CC4=CC=CC=C4C3

Isomeric SMILES

C1CC(NC1)C(=O)C(C#N)NC2CCC(CC2)C(=O)N3CC4=CC=CC=C4C3

InChI

InChI=1S/C22H28N4O2/c23-12-20(21(27)19-6-3-11-24-19)25-18-9-7-15(8-10-18)22(28)26-13-16-4-1-2-5-17(16)14-26/h1-2,4-5,15,18-20,24-25H,3,6-11,13-14H2