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

Systemtic Name: 4-[[3-[(4-ethyl-1,4-diazepan-1-yl)carbonyl]-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-(4-ethyl-1,4-diazepane-1-carbonyl)-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[(4-ethyl-1,4-diazepan-1-yl)-oxomethyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-(4-ethyl-1,4-diazepane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-(4-ethyl-1,4-diazepane-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one Formula: C23H25FN4O2 MolecularWeight: 408.468603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

Isomeric SMILES

CCN1CCCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

InChI

InChI=1S/C23H25FN4O2/c1-2-27-10-5-11-28(13-12-27)23(30)19-14-16(8-9-20(19)24)15-21-17-6-3-4-7-18(17)22(29)26-25-21/h3-4,6-9,14H,2,5,10-13,15H2,1H3,(H,26,29)