4-[[3-[(4-cyclohexyl-1,4-diazepan-1-yl)carbonyl]-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[3-[(4-cyclohexyl-1,4-diazepan-1-yl)carbonyl]-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-(4-cyclohexyl-1,4-diazepane-1-carbonyl)-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[(4-cyclohexyl-1,4-diazepan-1-yl)-oxomethyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-(4-cyclohexyl-1,4-diazepane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-(4-cyclohexyl-1,4-diazepane-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one Formula: C27H31FN4O2 MolecularWeight: 462.559043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

Isomeric SMILES

C1CCC(CC1)N2CCCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

InChI

InChI=1S/C27H31FN4O2/c28-24-12-11-19(18-25-21-9-4-5-10-22(21)26(33)30-29-25)17-23(24)27(34)32-14-6-13-31(15-16-32)20-7-2-1-3-8-20/h4-5,9-12,17,20H,1-3,6-8,13-16,18H2,(H,30,33)