[(3R)-1-ethylpiperidin-3-yl] 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate

Systemtic Name: [(3R)-1-ethylpiperidin-3-yl] 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: [(3R)-1-ethyl-3-piperidyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate CAS Name: 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid [(3R)-1-ethyl-3-piperidinyl] ester IUPAC Name: [(3R)-1-ethylpiperidin-3-yl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Traditional Name: 12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid [(3R)-1-ethyl-3-piperidyl] ester Formula: C21H27N3O3 MolecularWeight: 369.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)OC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

Isomeric SMILES

CCN1CCC[C@H](C1)OC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

InChI

InChI=1S/C21H27N3O3/c1-2-23-11-6-7-16(14-23)27-21(26)15-9-10-17-18(13-15)22-19-8-4-3-5-12-24(19)20(17)25/h9-10,13,16H,2-8,11-12,14H2,1H3/t16-/m1/s1