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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN4O2/c22-15-6-7-17-16(12-15)19-20(25-17)21(28)26(13-24-19)11-9-18(27)23-10-8-14-4-2-1-3-5-14/h1-7,12-13,25H,8-11H2,(H,23,27)