[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)Cl)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)Cl)C3(CCCCC3)C#N

InChI

InChI=1S/C20H20ClN3O3/c1-24(20(13-22)9-5-2-6-10-20)18(25)12-27-19(26)15-11-17(21)23-16-8-4-3-7-14(15)16/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3