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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C19H16ClN3O4 MolecularWeight: 385.80104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O4/c20-14-8-11(9-15-17(14)27-7-3-6-26-15)10-21-19(25)16-12-4-1-2-5-13(12)18(24)23-22-16/h1-2,4-5,8-9H,3,6-7,10H2,(H,21,25)(H,23,24)