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

Systemtic Name: 4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]carbonyl-2-pentyl-phthalazin-1-one Openeye Name: 4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-2-pentyl-phthalazin-1-one CAS Name: 4-[[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-pentyl-1-phthalazinone IUPAC Name: 4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one Traditional Name: 2-amyl-4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C25H27FN4O3 MolecularWeight: 450.505283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN4O3/c1-2-3-6-13-30-24(32)21-8-5-4-7-20(21)22(27-30)25(33)29-16-14-28(15-17-29)23(31)18-9-11-19(26)12-10-18/h4-5,7-12H,2-3,6,13-17H2,1H3