4-[(4-fluorophenyl)methyl]-2-(1-prop-2-enylazepan-4-yl)phthalazin-1-one hydrochloride

Systemtic Name: 4-[(4-fluorophenyl)methyl]-2-(1-prop-2-enylazepan-4-yl)phthalazin-1-one hydrochloride Openeye Name: 2-(1-allylazepan-4-yl)-4-[(4-fluorophenyl)methyl]phthalazin-1-one hydrochloride CAS Name: 4-[(4-fluorophenyl)methyl]-2-(1-prop-2-enyl-4-azepanyl)-1-phthalazinone hydrochloride IUPAC Name: 4-[(4-fluorophenyl)methyl]-2-(1-prop-2-enylazepan-4-yl)phthalazin-1-one hydrochloride Traditional Name: 2-(1-allylazepan-4-yl)-4-(4-fluorobenzyl)phthalazin-1-one hydrochloride Formula: C24H27ClFN3O MolecularWeight: 427.942083

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)F.Cl

Isomeric SMILES

C=CCN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)F.Cl

InChI

InChI=1S/C24H26FN3O.ClH/c1-2-14-27-15-5-6-20(13-16-27)28-24(29)22-8-4-3-7-21(22)23(26-28)17-18-9-11-19(25)12-10-18;/h2-4,7-12,20H,1,5-6,13-17H2;1H