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

Systemtic Name: 3-(8-fluoranyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)-N-(3-phenylpropyl)propanamide Openeye Name: 3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(3-phenylpropyl)propanamide CAS Name: 3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(3-phenylpropyl)propanamide IUPAC Name: 3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(3-phenylpropyl)propanamide Traditional Name: 3-(8-fluoro-4-keto-5H-pyrimid[5,4-b]indol-3-yl)-N-(3-phenylpropyl)propionamide Formula: C22H21FN4O2 MolecularWeight: 392.426143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN4O2/c23-16-8-9-18-17(13-16)20-21(26-18)22(29)27(14-25-20)12-10-19(28)24-11-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,13-14,26H,4,7,10-12H2,(H,24,28)