[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3/c1-15-20(16(2)26(25-15)19-9-4-3-5-10-19)12-22(28)29-14-21(27)24-18-8-6-7-17(11-18)13-23/h3-11H,12,14H2,1-2H3,(H,24,27)