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

Systemtic Name: dibenzofuran-2-yl 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: dibenzofuran-2-yl 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 2-dibenzofuranyl ester IUPAC Name: dibenzofuran-2-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 dibenzofuran-2-yl ester Formula: C26H20N2O4 MolecularWeight: 424.448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)OC4=CC5=C(C=C4)OC6=CC=CC=C65)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)OC4=CC5=C(C=C4)OC6=CC=CC=C65)C(=O)N2CC1

InChI

InChI=1S/C26H20N2O4/c29-25-19-11-9-16(14-21(19)27-24-8-2-1-5-13-28(24)25)26(30)31-17-10-12-23-20(15-17)18-6-3-4-7-22(18)32-23/h3-4,6-7,9-12,14-15H,1-2,5,8,13H2