propan-2-yl 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate

Systemtic Name: propan-2-yl 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate Openeye Name: isopropyl 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-4-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid isopropyl ester Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OC(C)C)CCC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OC(C)C)CCC#N)C

InChI

InChI=1S/C18H21N3O2/c1-12(2)23-18(22)16-11-21(9-5-8-19)20-17(16)15-7-6-13(3)14(4)10-15/h6-7,10-12H,5,9H2,1-4H3