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

Systemtic Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]carbonyl-2-pentyl-phthalazin-1-one Openeye Name: 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pentyl-phthalazin-1-one CAS Name: 4-[[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-[4-(2-fluorobenzyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C25H29FN4O2 MolecularWeight: 436.521763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=CC=CC=C4F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C25H29FN4O2/c1-2-3-8-13-30-24(31)21-11-6-5-10-20(21)23(27-30)25(32)29-16-14-28(15-17-29)18-19-9-4-7-12-22(19)26/h4-7,9-12H,2-3,8,13-18H2,1H3