1-[1-[6-(aminomethyl)-1H-benzimidazol-2-yl]-5-fluoranyl-pentyl]-3-methyl-cinnolin-4-one

Systemtic Name: 1-[1-[6-(aminomethyl)-1H-benzimidazol-2-yl]-5-fluoranyl-pentyl]-3-methyl-cinnolin-4-one Openeye Name: 1-[1-[6-(aminomethyl)-1H-benzimidazol-2-yl]-5-fluoro-pentyl]-3-methyl-cinnolin-4-one CAS Name: 1-[1-[6-(aminomethyl)-1H-benzimidazol-2-yl]-5-fluoropentyl]-3-methyl-4-cinnolinone IUPAC Name: 1-[1-[6-(aminomethyl)-1H-benzimidazol-2-yl]-5-fluoropentyl]-3-methylcinnolin-4-one Traditional Name: 1-[1-[6-(aminomethyl)-1H-benzimidazol-2-yl]-5-fluoro-pentyl]-3-methyl-cinnolin-4-one Formula: C22H24FN5O MolecularWeight: 393.457263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=CC=CC=C2C1=O)C(CCCCF)C3=NC4=C(N3)C=C(C=C4)CN

Isomeric SMILES

CC1=NN(C2=CC=CC=C2C1=O)C(CCCCF)C3=NC4=C(N3)C=C(C=C4)CN

InChI

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