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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-3H-phthalazine-1-carboxamide Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)OC1

InChI

InChI=1S/C18H15N3O4/c22-17-13-5-2-1-4-12(13)16(20-21-17)18(23)19-11-6-7-14-15(10-11)25-9-3-8-24-14/h1-2,4-7,10H,3,8-9H2,(H,19,23)(H,21,22)