[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C20H21N3O4/c1-13(18(25)23-20(12-21)9-5-2-6-10-20)27-19(26)15-11-17(24)22-16-8-4-3-7-14(15)16/h3-4,7-8,11,13H,2,5-6,9-10H2,1H3,(H,22,24)(H,23,25)