3-cyanopropyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-cyanopropyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: 3-cyanopropyl 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid 3-cyanopropyl ester Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCCCC#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCCCC#N

InChI

InChI=1S/C16H17N3O2/c1-12-15(16(20)21-11-7-6-10-17)13(2)19(18-12)14-8-4-3-5-9-14/h3-5,8-9H,6-7,11H2,1-2H3