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

Systemtic Name: (3-oxidanidylbenzotriazol-3-ium-1-yl)-[4-[4-(4-pentoxyphenyl)piperazin-1-yl]phenyl]methanone Openeye Name: (3-oxidobenzotriazol-3-ium-1-yl)-[4-[4-(4-pentoxyphenyl)piperazin-1-yl]phenyl]methanone CAS Name: (3-oxido-1-benzotriazol-3-iumyl)-[4-[4-(4-pentoxyphenyl)-1-piperazinyl]phenyl]methanone IUPAC Name: (3-oxidobenzotriazol-3-ium-1-yl)-[4-[4-(4-pentoxyphenyl)piperazin-1-yl]phenyl]methanone Traditional Name: [4-[4-(4-amoxyphenyl)piperazino]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

InChI

InChI=1S/C28H31N5O3/c1-2-3-6-21-36-25-15-13-24(14-16-25)31-19-17-30(18-20-31)23-11-9-22(10-12-23)28(34)32-26-7-4-5-8-27(26)33(35)29-32/h4-5,7-16H,2-3,6,17-21H2,1H3