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

Systemtic Name: N-(3,4-dimethoxyphenyl)-3-(8-fluoranyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)propanamide Openeye Name: N-(3,4-dimethoxyphenyl)-3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide CAS Name: N-(3,4-dimethoxyphenyl)-3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide IUPAC Name: N-(3,4-dimethoxyphenyl)-3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide Traditional Name: N-(3,4-dimethoxyphenyl)-3-(8-fluoro-4-keto-5H-pyrimid[5,4-b]indol-3-yl)propionamide Formula: C21H19FN4O4 MolecularWeight: 410.398363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F)OC

InChI

InChI=1S/C21H19FN4O4/c1-29-16-6-4-13(10-17(16)30-2)24-18(27)7-8-26-11-23-19-14-9-12(22)3-5-15(14)25-20(19)21(26)28/h3-6,9-11,25H,7-8H2,1-2H3,(H,24,27)