4-chloranyl-6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-2H-phthalazin-1-one

Systemtic Name: 4-chloranyl-6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-2H-phthalazin-1-one Openeye Name: 4-chloro-6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-2H-phthalazin-1-one CAS Name: 4-chloro-6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-2H-phthalazin-1-one IUPAC Name: 4-chloro-6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-2H-phthalazin-1-one Traditional Name: 4-chloro-6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-2H-phthalazin-1-one Formula: C18H16ClN3O3 MolecularWeight: 357.79094

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(=C2OC1)CNC3=CC4=C(C=C3)C(=O)NN=C4Cl

Isomeric SMILES

C1COC2=CC=CC(=C2OC1)CNC3=CC4=C(C=C3)C(=O)NN=C4Cl

InChI

InChI=1S/C18H16ClN3O3/c19-17-14-9-12(5-6-13(14)18(23)22-21-17)20-10-11-3-1-4-15-16(11)25-8-2-7-24-15/h1,3-6,9,20H,2,7-8,10H2,(H,22,23)