6-[5-methyl-4-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[5-methyl-4-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[5-methyl-4-(4-phenethylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[5-methyl-4-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[5-methyl-4-(4-phenethylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[5-methyl-4-(4-phenethylpiperazin-4-ium-1-carbonyl)pyrazol-1-yl]pyridazin-3-olate Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H24N6O2/c1-16-18(15-22-27(16)19-7-8-20(28)24-23-19)21(29)26-13-11-25(12-14-26)10-9-17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,24,28)