N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexane-1-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(4-oxo-3-quinazolinyl)methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(4-oxoquinazolin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(4-ketoquinazolin-3-yl)methyl]cyclohexanecarboxamide Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3CCC(CC3)CN4C=NC5=CC=CC=C5C4=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3CCC(CC3)CN4C=NC5=CC=CC=C5C4=O)OC1

InChI

InChI=1S/C25H27N3O4/c29-24(27-19-10-11-22-23(14-19)32-13-3-12-31-22)18-8-6-17(7-9-18)15-28-16-26-21-5-2-1-4-20(21)25(28)30/h1-2,4-5,10-11,14,16-18H,3,6-9,12-13,15H2,(H,27,29)