ethyl 4-(2-chlorophenyl)-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)phenyl]-6-methyl-5-(2-pyridylcarbamoyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)phenyl]-6-methyl-5-[oxo-(2-pyridinylamino)methyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)phenyl]-6-methyl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)phenyl]-6-methyl-5-(2-pyridylcarbamoyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C31H29ClN6O3 MolecularWeight: 569.05336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=N3)C)C4=CC=C(C=C4)N5C(=NN=C5C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=N3)C)C4=CC=C(C=C4)N5C(=NN=C5C)C

InChI

InChI=1S/C31H29ClN6O3/c1-5-41-31(40)28-27(23-10-6-7-11-24(23)32)26(30(39)35-25-12-8-9-17-33-25)18(2)34-29(28)21-13-15-22(16-14-21)38-19(3)36-37-20(38)4/h6-17,27,34H,5H2,1-4H3,(H,33,35,39)