3-cyanopropyl 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: 3-cyanopropyl 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate Openeye Name: 3-cyanopropyl 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-3-pyrazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylic acid 3-cyanopropyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-27-19-11-10-16(14-20(19)28-2)18-15-25(17-8-4-3-5-9-17)24-21(18)22(26)29-13-7-6-12-23/h3-5,8-11,14-15H,6-7,13H2,1-2H3