methyl 4-(4-cyanophenyl)-1-[(5-cyanopyridin-2-yl)methyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: methyl 4-(4-cyanophenyl)-1-[(5-cyanopyridin-2-yl)methyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: methyl 4-(4-cyanophenyl)-1-[(5-cyano-2-pyridyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-(4-cyanophenyl)-1-[(5-cyano-2-pyridinyl)methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-cyanophenyl)-1-[(5-cyanopyridin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 4-(4-cyanophenyl)-1-[(5-cyano-2-pyridyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C22H18N4O2 MolecularWeight: 370.40392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=NC=C(C=C2)C#N)C)C(=O)OC)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=C(N1CC2=NC=C(C=C2)C#N)C)C(=O)OC)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H18N4O2/c1-14-20(18-7-4-16(10-23)5-8-18)21(22(27)28-3)15(2)26(14)13-19-9-6-17(11-24)12-25-19/h4-9,12H,13H2,1-3H3