1-[[5-(aminomethyl)-1-(4-fluoranylbutyl)benzimidazol-2-yl]methyl]-3-methyl-cinnolin-4-one

Systemtic Name: 1-[[5-(aminomethyl)-1-(4-fluoranylbutyl)benzimidazol-2-yl]methyl]-3-methyl-cinnolin-4-one Openeye Name: 1-[[5-(aminomethyl)-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-methyl-cinnolin-4-one CAS Name: 1-[[5-(aminomethyl)-1-(4-fluorobutyl)-2-benzimidazolyl]methyl]-3-methyl-4-cinnolinone IUPAC Name: 1-[[5-(aminomethyl)-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-methylcinnolin-4-one Traditional Name: 1-[[5-(aminomethyl)-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-methyl-cinnolin-4-one Formula: C22H24FN5O MolecularWeight: 393.457263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=CC=CC=C2C1=O)CC3=NC4=C(N3CCCCF)C=CC(=C4)CN

Isomeric SMILES

CC1=NN(C2=CC=CC=C2C1=O)CC3=NC4=C(N3CCCCF)C=CC(=C4)CN

InChI

InChI=1S/C22H24FN5O/c1-15-22(29)17-6-2-3-7-19(17)28(26-15)14-21-25-18-12-16(13-24)8-9-20(18)27(21)11-5-4-10-23/h2-3,6-9,12H,4-5,10-11,13-14,24H2,1H3