[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H18N4O3 MolecularWeight: 422.43542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C25H18N4O3/c1-16(24(30)28-19-6-4-5-17(13-19)15-26)32-25(31)21-14-23(18-9-11-27-12-10-18)29-22-8-3-2-7-20(21)22/h2-14,16H,1H3,(H,28,30)/t16-/m1/s1