[1-[4-(4-hexoxyphenyl)piperazin-1-yl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]-pyridazin-3-yl-methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=NN=CC=C5

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=NN=CC=C5

InChI

InChI=1S/C27H31N7O3/c1-2-3-4-5-20-37-22-13-11-21(12-14-22)31-16-18-32(19-17-31)33-25-10-6-8-23(26(25)34(36)30-33)27(35)24-9-7-15-28-29-24/h6-15H,2-5,16-20H2,1H3