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

Systemtic Name: 4-[4-[2-(4-fluorophenyl)ethanoyl]piperazin-1-yl]carbonyl-2-pentyl-phthalazin-1-one Openeye Name: 4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-pentyl-phthalazin-1-one CAS Name: 4-[[4-[2-(4-fluorophenyl)-1-oxoethyl]-1-piperazinyl]-oxomethyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phthalazin-1-one Formula: C26H29FN4O3 MolecularWeight: 464.531863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C26H29FN4O3/c1-2-3-6-13-31-25(33)22-8-5-4-7-21(22)24(28-31)26(34)30-16-14-29(15-17-30)23(32)18-19-9-11-20(27)12-10-19/h4-5,7-12H,2-3,6,13-18H2,1H3