[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate CAS Name: 2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-quinoline-4-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate Traditional Name: 2-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=C3C=CC(=O)C=C3)NC4=CC=CC=C42

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=C3C=CC(=O)C=C3)NC4=CC=CC=C42

InChI

InChI=1S/C24H24N2O4/c27-18-11-9-17(10-12-18)22-15-20(19-7-3-4-8-21(19)25-22)24(29)30-16-23(28)26-13-5-1-2-6-14-26/h3-4,7-12,15,25H,1-2,5-6,13-14,16H2