3-cyanopropyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: 3-cyanopropyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: 3-cyanopropyl 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid 3-cyanopropyl ester Formula: C17H19N3O2 MolecularWeight: 297.35166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCCCC#N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCCCC#N

InChI

InChI=1S/C17H19N3O2/c1-13-16(17(21)22-11-7-6-10-18)14(2)20(19-13)12-15-8-4-3-5-9-15/h3-5,8-9H,6-7,11-12H2,1-2H3