[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C22H20N4O3/c1-14-11-15(2)26(25-14)20-9-7-18(8-10-20)22(28)29-16(3)21(27)24-19-6-4-5-17(12-19)13-23/h4-12,16H,1-3H3,(H,24,27)