[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate CAS Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate Traditional Name: 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C26H27N3O4S MolecularWeight: 477.57528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C3=CC=CC=C3N=C2CC1)C(=O)OCC(=O)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CCC2=C(C3=CC=CC=C3N=C2CC1)C(=O)OCC(=O)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C26H27N3O4S/c30-23(28-12-14-29(15-13-28)25(31)22-11-6-16-34-22)17-33-26(32)24-18-7-2-1-3-9-20(18)27-21-10-5-4-8-19(21)24/h4-6,8,10-11,16H,1-3,7,9,12-15,17H2