3-[2-(5-fluoranyl-1H-indol-3-yl)ethylamino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[2-(5-fluoranyl-1H-indol-3-yl)ethylamino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2H-1,2,4-triazin-5-one CAS Name: 3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2H-1,2,4-triazin-5-one Formula: C20H18FN5O MolecularWeight: 363.388223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NNC(=NC2=O)NCCC3=CNC4=C3C=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CC2=NNC(=NC2=O)NCCC3=CNC4=C3C=C(C=C4)F

InChI

InChI=1S/C20H18FN5O/c21-15-6-7-17-16(11-15)14(12-23-17)8-9-22-20-24-19(27)18(25-26-20)10-13-4-2-1-3-5-13/h1-7,11-12,23H,8-10H2,(H2,22,24,26,27)