N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-keto-1,2,3-benzotriazin-3-yl)butyramide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4N=N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4N=N3)OC1

InChI

InChI=1S/C20H20N4O4/c25-19(21-14-8-9-17-18(13-14)28-12-4-11-27-17)7-3-10-24-20(26)15-5-1-2-6-16(15)22-23-24/h1-2,5-6,8-9,13H,3-4,7,10-12H2,(H,21,25)