[3-fluoranyl-4-[4-(4-hexoxyphenyl)piperazin-1-yl]phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [3-fluoranyl-4-[4-(4-hexoxyphenyl)piperazin-1-yl]phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [3-fluoro-4-[4-(4-hexoxyphenyl)piperazin-1-yl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [3-fluoro-4-[4-(4-hexoxyphenyl)-1-piperazinyl]phenyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [3-fluoro-4-[4-(4-hexoxyphenyl)piperazin-1-yl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [3-fluoro-4-[4-(4-hexoxyphenyl)piperazino]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C29H32FN5O3 MolecularWeight: 517.594483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-])F

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-])F

InChI

InChI=1S/C29H32FN5O3/c1-2-3-4-7-20-38-24-13-11-23(12-14-24)32-16-18-33(19-17-32)26-15-10-22(21-25(26)30)29(36)34-27-8-5-6-9-28(27)35(37)31-34/h5-6,8-15,21H,2-4,7,16-20H2,1H3