4-[[3-[4-(cyclopropylmethoxy)piperidin-1-yl]carbonyl-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[3-[4-(cyclopropylmethoxy)piperidin-1-yl]carbonyl-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-[4-(cyclopropylmethoxy)piperidine-1-carbonyl]-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[[4-(cyclopropylmethoxy)-1-piperidinyl]-oxomethyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-[4-(cyclopropylmethoxy)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-[4-(cyclopropylmethoxy)piperidine-1-carbonyl]-4-fluoro-benzyl]-2H-phthalazin-1-one Formula: C25H26FN3O3 MolecularWeight: 435.490643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

Isomeric SMILES

C1CC1COC2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

InChI

InChI=1S/C25H26FN3O3/c26-22-8-7-17(14-23-19-3-1-2-4-20(19)24(30)28-27-23)13-21(22)25(31)29-11-9-18(10-12-29)32-15-16-5-6-16/h1-4,7-8,13,16,18H,5-6,9-12,14-15H2,(H,28,30)