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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-phthalazine-1-carboxamide Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)OC1

InChI

InChI=1S/C25H21N3O4/c29-24(26-18-11-12-21-22(15-18)32-14-6-13-31-21)23-19-9-4-5-10-20(19)25(30)28(27-23)16-17-7-2-1-3-8-17/h1-5,7-12,15H,6,13-14,16H2,(H,26,29)