1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-benzyl-1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-benzyl-1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide Traditional Name: N-benzyl-1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC3=CC=CC=C3)CCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCC3=CC=CC=C3)CCC#N)OC

InChI

InChI=1S/C22H22N4O3/c1-28-19-10-9-17(13-20(19)29-2)21-18(15-26(25-21)12-6-11-23)22(27)24-14-16-7-4-3-5-8-16/h3-5,7-10,13,15H,6,12,14H2,1-2H3,(H,24,27)