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

Systemtic Name: 3-[3-[4-(2-cyclopentyloxy-5-fluoranyl-phenyl)piperazin-1-yl]phenyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[3-[4-[2-(cyclopentoxy)-5-fluoro-phenyl]piperazin-1-yl]phenyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)-1-piperazinyl]phenyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]phenyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[3-[4-[2-(cyclopentoxy)-5-fluoro-phenyl]piperazino]phenyl]-1,2,3-benzotriazin-4-one Formula: C28H28FN5O2 MolecularWeight: 485.552623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=C(C=C(C=C2)F)N3CCN(CC3)C4=CC=CC(=C4)N5C(=O)C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCC(C1)OC2=C(C=C(C=C2)F)N3CCN(CC3)C4=CC=CC(=C4)N5C(=O)C6=CC=CC=C6N=N5

InChI

InChI=1S/C28H28FN5O2/c29-20-12-13-27(36-23-8-1-2-9-23)26(18-20)33-16-14-32(15-17-33)21-6-5-7-22(19-21)34-28(35)24-10-3-4-11-25(24)30-31-34/h3-7,10-13,18-19,23H,1-2,8-9,14-17H2