4-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-[[5-(2-fluorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[[5-(2-fluorophenyl)-2-thiophenyl]methyl]-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[[5-(2-fluorophenyl)-2-thienyl]methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C24H21FN4O2S MolecularWeight: 448.512543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)C3=CC=CC=C3F)C(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)C3=CC=CC=C3F)C(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C24H21FN4O2S/c25-20-8-4-3-7-19(20)21-10-9-16(32-21)15-28-11-13-29(14-12-28)24(31)22-17-5-1-2-6-18(17)23(30)27-26-22/h1-10H,11-15H2,(H,27,30)