2-cyanoethyl 4-(3-chlorophenyl)-2,6-dimethyl-5-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamoyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-cyanoethyl 4-(3-chlorophenyl)-2,6-dimethyl-5-[3-(2-oxidanylidenepyrrolidin-1-yl)propylcarbamoyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-cyanoethyl 4-(3-chlorophenyl)-2,6-dimethyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(3-chlorophenyl)-2,6-dimethyl-5-[oxo-[3-(2-oxo-1-pyrrolidinyl)propylamino]methyl]-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 4-(3-chlorophenyl)-2,6-dimethyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(3-chlorophenyl)-5-[3-(2-ketopyrrolidino)propylcarbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester Formula: C25H29ClN4O4 MolecularWeight: 484.97516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCC#N)C2=CC(=CC=C2)Cl)C(=O)NCCCN3CCCC3=O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCC#N)C2=CC(=CC=C2)Cl)C(=O)NCCCN3CCCC3=O

InChI

InChI=1S/C25H29ClN4O4/c1-16-21(24(32)28-11-6-13-30-12-4-9-20(30)31)23(18-7-3-8-19(26)15-18)22(17(2)29-16)25(33)34-14-5-10-27/h3,7-8,15,23,29H,4-6,9,11-14H2,1-2H3,(H,28,32)