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

Systemtic Name: N-[(4-bromophenyl)methyl]-3-(8-fluoranyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-3-yl)propanamide Openeye Name: N-[(4-bromophenyl)methyl]-3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide CAS Name: N-[(4-bromophenyl)methyl]-3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide IUPAC Name: N-[(4-bromophenyl)methyl]-3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide Traditional Name: N-(4-bromobenzyl)-3-(8-fluoro-4-keto-5H-pyrimid[5,4-b]indol-3-yl)propionamide Formula: C20H16BrFN4O2 MolecularWeight: 443.269043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F)Br

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCN2C=NC3=C(C2=O)NC4=C3C=C(C=C4)F)Br

InChI

InChI=1S/C20H16BrFN4O2/c21-13-3-1-12(2-4-13)10-23-17(27)7-8-26-11-24-18-15-9-14(22)5-6-16(15)25-19(18)20(26)28/h1-6,9,11,25H,7-8,10H2,(H,23,27)