methyl 1-[(6-chloranylpyridin-3-yl)methyl]-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: methyl 1-[(6-chloranylpyridin-3-yl)methyl]-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: methyl 1-[(6-chloro-3-pyridyl)methyl]-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[(6-chloro-3-pyridinyl)methyl]-4-(4-cyanophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(6-chloropyridin-3-yl)methyl]-4-(4-cyanophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[(6-chloro-3-pyridyl)methyl]-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C21H18ClN3O2 MolecularWeight: 379.83952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O2/c1-13-19(17-7-4-15(10-23)5-8-17)20(21(26)27-3)14(2)25(13)12-16-6-9-18(22)24-11-16/h4-9,11H,12H2,1-3H3