[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-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-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 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-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C3=CC=CC=C3N=C2CC1)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1CCC2=C(C3=CC=CC=C3N=C2CC1)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C20H21N3O3/c21-11-6-12-22-18(24)13-26-20(25)19-14-7-2-1-3-9-16(14)23-17-10-5-4-8-15(17)19/h4-5,8,10H,1-3,6-7,9,12-13H2,(H,22,24)