4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]carbonyl]-2H-phthalazin-1-one Openeye Name: 4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-carbonyl]-2H-phthalazin-1-one Formula: C21H22FN4O2+ MolecularWeight: 381.423383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=NNC(=O)C3=CC=CC=C32)CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O2/c22-16-8-6-15(7-9-16)14-25-10-3-11-26(13-12-25)21(28)19-17-4-1-2-5-18(17)20(27)24-23-19/h1-2,4-9H,3,10-14H2,(H,24,27)/p+1