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

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carboxylate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-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 [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 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 [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=C3C=CC(=O)C=C3)NC4=CC=CC=C42

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=CC(=C3C=CC(=O)C=C3)NC4=CC=CC=C42

InChI

InChI=1S/C25H26N2O4/c1-17(24(29)27-14-6-2-3-7-15-27)31-25(30)21-16-23(18-10-12-19(28)13-11-18)26-22-9-5-4-8-20(21)22/h4-5,8-13,16-17,26H,2-3,6-7,14-15H2,1H3/t17-/m1/s1