[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H20N2O4/c21-16-11-15(19-14-8-4-3-7-13(14)16)18(23)24-12-17(22)20-9-5-1-2-6-10-20/h3-4,7-8,11H,1-2,5-6,9-10,12H2,(H,19,21)