3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-8-fluoranyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-8-fluoranyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-8-fluoro-5H-pyrimid[5,4-b]indol-4-one Formula: C22H19FN4O2 MolecularWeight: 390.410263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCN3C=NC4=C(C3=O)NC5=C4C=C(C=C5)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCN3C=NC4=C(C3=O)NC5=C4C=C(C=C5)F

InChI

InChI=1S/C22H19FN4O2/c23-16-5-6-18-17(11-16)20-21(25-18)22(29)27(13-24-20)10-8-19(28)26-9-7-14-3-1-2-4-15(14)12-26/h1-6,11,13,25H,7-10,12H2