[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(phenylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(phenylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: 3-(phenylmethylene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: 3-benzal-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=C3CCC(=CC4=CC=CC=C4)C3=NC5=CC=CC=C52

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C3CCC(=CC4=CC=CC=C4)C3=NC5=CC=CC=C52

InChI

InChI=1S/C28H28N2O3/c31-25(30-16-8-1-2-9-17-30)19-33-28(32)26-22-12-6-7-13-24(22)29-27-21(14-15-23(26)27)18-20-10-4-3-5-11-20/h3-7,10-13,18H,1-2,8-9,14-17,19H2