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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN4O2/c1-12-3-5-15(9-13(12)2)24-18(27)7-8-26-11-23-19-16-10-14(22)4-6-17(16)25-20(19)21(26)28/h3-6,9-11,25H,7-8H2,1-2H3,(H,24,27)