3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N)OC1

InChI

InChI=1S/C20H18N4O5/c21-19(26)18-13-4-1-2-5-14(13)20(27)24(23-18)11-17(25)22-12-6-7-15-16(10-12)29-9-3-8-28-15/h1-2,4-7,10H,3,8-9,11H2,(H2,21,26)(H,22,25)