phenyl 13-oxidanylidene-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate

Systemtic Name: phenyl 13-oxidanylidene-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate Openeye Name: phenyl 13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate CAS Name: 13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylic acid phenyl ester IUPAC Name: phenyl 13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate Traditional Name: 13-keto-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylic acid phenyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)OC4=CC=CC=C4)CC1

Isomeric SMILES

C1CCCN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)OC4=CC=CC=C4)CC1

InChI

InChI=1S/C21H20N2O3/c24-20-17-12-11-15(21(25)26-16-8-4-3-5-9-16)14-18(17)22-19-10-6-1-2-7-13-23(19)20/h3-5,8-9,11-12,14H,1-2,6-7,10,13H2