4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-6-oxidanyl-phthalazin-1-one

Systemtic Name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-6-oxidanyl-phthalazin-1-one Openeye Name: 4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylazepan-4-yl)phthalazin-1-one CAS Name: 4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methyl-4-azepanyl)-1-phthalazinone IUPAC Name: 4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylazepan-4-yl)phthalazin-1-one Traditional Name: 4-(4-chlorobenzyl)-6-hydroxy-2-(1-methylazepan-4-yl)phthalazin-1-one Formula: C22H24ClN3O2 MolecularWeight: 397.89786

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(CC1)N2C(=O)C3=C(C=C(C=C3)O)C(=N2)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1CCCC(CC1)N2C(=O)C3=C(C=C(C=C3)O)C(=N2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O2/c1-25-11-2-3-17(10-12-25)26-22(28)19-9-8-18(27)14-20(19)21(24-26)13-15-4-6-16(23)7-5-15/h4-9,14,17,27H,2-3,10-13H2,1H3