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

Systemtic Name: N-dibenzofuran-2-yl-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-dibenzofuran-2-yl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(2-dibenzofuranyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-dibenzofuran-2-yl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-dibenzofuran-2-yl-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC5=C(C=C4)OC6=CC=CC=C65)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC5=C(C=C4)OC6=CC=CC=C65)C(=O)N2CC1

InChI

InChI=1S/C26H21N3O3/c30-25(27-17-10-12-23-20(15-17)18-6-3-4-7-22(18)32-23)16-9-11-19-21(14-16)28-24-8-2-1-5-13-29(24)26(19)31/h3-4,6-7,9-12,14-15H,1-2,5,8,13H2,(H,27,30)