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

Systemtic Name: quinolin-8-yl 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: 8-quinolyl 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 8-quinolinyl ester IUPAC Name: quinolin-8-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 8-quinolyl ester Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)OC4=CC=CC5=C4N=CC=C5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)OC4=CC=CC5=C4N=CC=C5)C(=O)N2CC1

InChI

InChI=1S/C23H19N3O3/c27-22-17-11-10-16(14-18(17)25-20-9-2-1-3-13-26(20)22)23(28)29-19-8-4-6-15-7-5-12-24-21(15)19/h4-8,10-12,14H,1-3,9,13H2