[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-2-methyl-quinoline-3-carboxylate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 6-chloro-2-methyl-quinoline-3-carboxylate CAS Name: 6-chloro-2-methyl-3-quinolinecarboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate Traditional Name: 6-chloro-2-methyl-quinoline-3-carboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C22H17Cl2N3O3 MolecularWeight: 442.29468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)OCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)OCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H17Cl2N3O3/c1-14-19(11-15-10-17(24)6-7-20(15)26-14)22(29)30-13-21(28)27(9-3-8-25)18-5-2-4-16(23)12-18/h2,4-7,10-12H,3,9,13H2,1H3