N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-(4-oxidanylidenequinazolin-3-yl)hexanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-(4-oxidanylidenequinazolin-3-yl)hexanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-(4-oxoquinazolin-3-yl)hexanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-(4-oxo-3-quinazolinyl)hexanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-(4-oxoquinazolin-3-yl)hexanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-(4-ketoquinazolin-3-yl)hexanamide Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCCCCN3C=NC4=CC=CC=C4C3=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCCCCN3C=NC4=CC=CC=C4C3=O)OC1

InChI

InChI=1S/C23H25N3O4/c27-22(25-17-10-11-20-21(15-17)30-14-6-13-29-20)9-2-1-5-12-26-16-24-19-8-4-3-7-18(19)23(26)28/h3-4,7-8,10-11,15-16H,1-2,5-6,9,12-14H2,(H,25,27)