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

Systemtic Name: 1-(2-cyanoethyl)-3-(4-methoxyphenyl)-N-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-3-(4-methoxyphenyl)-N-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide Traditional Name: N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazole-4-carboxamide Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2/c1-27-18-10-8-17(9-11-18)20-19(15-25(24-20)13-5-12-22)21(26)23-14-16-6-3-2-4-7-16/h2-4,6-11,15H,5,13-14H2,1H3,(H,23,26)