4-[[3-(4-ethoxypiperidin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[3-(4-ethoxypiperidin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-(4-ethoxypiperidine-1-carbonyl)-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[(4-ethoxy-1-piperidinyl)-oxomethyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-(4-ethoxypiperidine-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-(4-ethoxypiperidine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one Formula: C23H24FN3O3 MolecularWeight: 409.453363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

Isomeric SMILES

CCOC1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

InChI

InChI=1S/C23H24FN3O3/c1-2-30-16-9-11-27(12-10-16)23(29)19-13-15(7-8-20(19)24)14-21-17-5-3-4-6-18(17)22(28)26-25-21/h3-8,13,16H,2,9-12,14H2,1H3,(H,26,28)