[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C28H19ClN4O3 MolecularWeight: 494.92846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC(=O)C(C#N)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC(=O)C(C#N)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C28H19ClN4O3/c1-16-25(19-9-2-3-10-21(19)31-26(16)17-7-6-8-18(29)13-17)28(35)36-15-24(34)20(14-30)27-32-22-11-4-5-12-23(22)33-27/h2-13,20H,15H2,1H3,(H,32,33)