[6-[4-(4-hexoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [6-[4-(4-hexoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [6-[4-(4-hexoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [6-[4-(4-hexoxyphenyl)-1-piperazinyl]-3-pyridazinyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [6-[4-(4-hexoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [6-[4-(4-hexoxyphenyl)piperazino]pyridazin-3-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C27H31N7O3 MolecularWeight: 501.58014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N7O3/c1-2-3-4-7-20-37-22-12-10-21(11-13-22)31-16-18-32(19-17-31)26-15-14-23(28-29-26)27(35)33-24-8-5-6-9-25(24)34(36)30-33/h5-6,8-15H,2-4,7,16-20H2,1H3