2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]carbonyl-1,3-dihydroisoindole-1-carboxamide

Systemtic Name: 2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]carbonyl-1,3-dihydroisoindole-1-carboxamide Openeye Name: 2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexanecarbonyl]isoindoline-1-carboxamide CAS Name: 2-[[(1R,2R)-2-[[(1-cyanocyclopropyl)amino]-oxomethyl]cyclohexyl]-oxomethyl]-1,3-dihydroisoindole-1-carboxamide IUPAC Name: 2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexanecarbonyl]-1,3-dihydroisoindole-1-carboxamide Traditional Name: 2-[(1R,2R)-2-[(1-cyanocyclopropyl)carbamoyl]cyclohexanecarbonyl]isoindoline-1-carboxamide Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2(CC2)C#N)C(=O)N3CC4=CC=CC=C4C3C(=O)N

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C(=O)NC2(CC2)C#N)C(=O)N3CC4=CC=CC=C4C3C(=O)N

InChI

InChI=1S/C21H24N4O3/c22-12-21(9-10-21)24-19(27)15-7-3-4-8-16(15)20(28)25-11-13-5-1-2-6-14(13)17(25)18(23)26/h1-2,5-6,15-17H,3-4,7-11H2,(H2,23,26)(H,24,27)/t15-,16-,17?/m1/s1