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

Systemtic Name: 3-(8-fluoranyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide Openeye Name: 3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(p-tolylmethyl)propanamide CAS Name: 3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: 3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(4-methylphenyl)methyl]propanamide Traditional Name: 3-(8-fluoro-4-keto-5H-pyrimid[5,4-b]indol-3-yl)-N-(4-methylbenzyl)propionamide Formula: C21H19FN4O2 MolecularWeight: 378.399563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F

InChI

InChI=1S/C21H19FN4O2/c1-13-2-4-14(5-3-13)11-23-18(27)8-9-26-12-24-19-16-10-15(22)6-7-17(16)25-20(19)21(26)28/h2-7,10,12,25H,8-9,11H2,1H3,(H,23,27)