3-(8-fluoranyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide

Systemtic Name: 3-(8-fluoranyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide Openeye Name: 3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide CAS Name: 3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(1-methyl-2-benzimidazolyl)methyl]propanamide IUPAC Name: 3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide Traditional Name: 3-(8-fluoro-4-keto-5H-pyrimid[5,4-b]indol-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]propionamide Formula: C22H19FN6O2 MolecularWeight: 418.423663

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CNC(=O)CCN3C=NC4=C(C3=O)NC5=C4C=C(C=C5)F

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CNC(=O)CCN3C=NC4=C(C3=O)NC5=C4C=C(C=C5)F

InChI

InChI=1S/C22H19FN6O2/c1-28-17-5-3-2-4-16(17)26-18(28)11-24-19(30)8-9-29-12-25-20-14-10-13(23)6-7-15(14)27-21(20)22(29)31/h2-7,10,12,27H,8-9,11H2,1H3,(H,24,30)