[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-(3-bromophenyl)quinoline-4-carboxylate CAS Name: 2-(3-bromophenyl)-4-quinolinecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate Traditional Name: 2-(3-bromophenyl)cinchoninic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C24H20BrN3O3 MolecularWeight: 478.3379

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br

InChI

InChI=1S/C24H20BrN3O3/c25-17-7-5-6-16(12-17)21-13-19(18-8-1-2-9-20(18)27-21)23(30)31-14-22(29)28-24(15-26)10-3-4-11-24/h1-2,5-9,12-13H,3-4,10-11,14H2,(H,28,29)