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

Systemtic Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)pyrazole-4-carboxamide Openeye Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-pyrazolecarboxamide IUPAC Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)pyrazole-4-carboxamide Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)pyrazole-4-carboxamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC(=C(C=C3)OC)OC)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC(=C(C=C3)OC)OC)CCC#N

InChI

InChI=1S/C22H22N4O4/c1-28-17-8-6-16(7-9-17)24-22(27)18-14-26(12-4-11-23)25-21(18)15-5-10-19(29-2)20(13-15)30-3/h5-10,13-14H,4,12H2,1-3H3,(H,24,27)