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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(4-keto-3-methyl-phthalazin-1-yl)acetamide Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H20ClN3O4/c1-25-21(27)15-6-3-2-5-14(15)17(24-25)11-19(26)23-12-13-9-16(22)20-18(10-13)28-7-4-8-29-20/h2-3,5-6,9-10H,4,7-8,11-12H2,1H3,(H,23,26)