[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C19H20N4O3/c1-14-8-11-21-23(14)16-6-4-15(5-7-16)18(25)26-12-17(24)22-19(13-20)9-2-3-10-19/h4-8,11H,2-3,9-10,12H2,1H3,(H,22,24)