3-cyanopropyl 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-cyanopropyl 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 3-cyanopropyl 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid 3-cyanopropyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCCCC#N)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCCCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3/c1-26-18-11-7-8-16(14-18)20-19(21(25)27-13-6-5-12-22)15-24(23-20)17-9-3-2-4-10-17/h2-4,7-11,14-15H,5-6,13H2,1H3