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

Systemtic Name: 1-(2-cyanoethyl)-N-(4-iodophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide Openeye Name: 1-(2-cyanoethyl)-N-(4-iodophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-N-(4-iodophenyl)-3-(3-methoxyphenyl)-4-pyrazolecarboxamide IUPAC Name: 1-(2-cyanoethyl)-N-(4-iodophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide Traditional Name: 1-(2-cyanoethyl)-N-(4-iodophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide Formula: C20H17IN4O2 MolecularWeight: 472.27905

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)I)CCC#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)I)CCC#N

InChI

InChI=1S/C20H17IN4O2/c1-27-17-5-2-4-14(12-17)19-18(13-25(24-19)11-3-10-22)20(26)23-16-8-6-15(21)7-9-16/h2,4-9,12-13H,3,11H2,1H3,(H,23,26)