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

Systemtic Name: 3-[5-[4-(5-fluoranyl-2-methoxy-phenyl)piperazin-1-yl]pentyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[5-[4-(5-fluoro-2-methoxy-phenyl)piperazin-1-yl]pentyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[5-[4-(5-fluoro-2-methoxyphenyl)-1-piperazinyl]pentyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[5-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]pentyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[5-[4-(5-fluoro-2-methoxy-phenyl)piperazino]pentyl]-1,2,3-benzotriazin-4-one Formula: C23H28FN5O2 MolecularWeight: 425.499123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)N2CCN(CC2)CCCCCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=C(C=C(C=C1)F)N2CCN(CC2)CCCCCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H28FN5O2/c1-31-22-10-9-18(24)17-21(22)28-15-13-27(14-16-28)11-5-2-6-12-29-23(30)19-7-3-4-8-20(19)25-26-29/h3-4,7-10,17H,2,5-6,11-16H2,1H3