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

Systemtic Name: 3-[5-[4-(5-fluoranyl-2-propan-2-yloxy-phenyl)piperazin-1-yl]pentyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[5-[4-(5-fluoro-2-isopropoxy-phenyl)piperazin-1-yl]pentyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[5-[4-(5-fluoro-2-propan-2-yloxyphenyl)-1-piperazinyl]pentyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[5-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]pentyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[5-[4-(5-fluoro-2-isopropoxy-phenyl)piperazino]pentyl]-1,2,3-benzotriazin-4-one Formula: C25H32FN5O2 MolecularWeight: 453.552283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)F)N2CCN(CC2)CCCCCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)F)N2CCN(CC2)CCCCCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C25H32FN5O2/c1-19(2)33-24-11-10-20(26)18-23(24)30-16-14-29(15-17-30)12-6-3-7-13-31-25(32)21-8-4-5-9-22(21)27-28-31/h4-5,8-11,18-19H,3,6-7,12-17H2,1-2H3