3-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(5-fluoro-2-methoxy-benzyl)piperazino]methyl]-1,2,3-benzotriazin-4-one Formula: C20H22FN5O2 MolecularWeight: 383.419383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=C(C=C(C=C1)F)CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H22FN5O2/c1-28-19-7-6-16(21)12-15(19)13-24-8-10-25(11-9-24)14-26-20(27)17-4-2-3-5-18(17)22-23-26/h2-7,12H,8-11,13-14H2,1H3