N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C25H20ClN3O4 MolecularWeight: 461.897

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)Cl)OC1

InChI

InChI=1S/C25H20ClN3O4/c26-20-13-16(14-21-23(20)33-12-6-11-32-21)15-27-24(30)22-18-9-4-5-10-19(18)25(31)29(28-22)17-7-2-1-3-8-17/h1-5,7-10,13-14H,6,11-12,15H2,(H,27,30)