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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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