2-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-(4-ethoxyphenyl)-4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-(4-ethoxyphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-p-phenetyl-phthalazin-1-one Formula: C27H25FN4O3 MolecularWeight: 472.510803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H25FN4O3/c1-2-35-22-13-11-21(12-14-22)32-26(33)24-6-4-3-5-23(24)25(29-32)27(34)31-17-15-30(16-18-31)20-9-7-19(28)8-10-20/h3-14H,2,15-18H2,1H3