6-[5-ethyl-4-(4-phenethylpiperidin-1-yl)carbonyl-pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[5-ethyl-4-(4-phenethylpiperidin-1-yl)carbonyl-pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[5-ethyl-4-(4-phenethylpiperidine-1-carbonyl)pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[5-ethyl-4-[oxo-(4-phenethyl-1-piperidinyl)methyl]-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[5-ethyl-4-(4-phenethylpiperidine-1-carbonyl)pyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[5-ethyl-4-(4-phenethylpiperidine-1-carbonyl)pyrazol-1-yl]pyridazin-3-olate Formula: C23H26N5O2- MolecularWeight: 404.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)N3CCC(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)N3CCC(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c1-2-20-19(16-24-28(20)21-10-11-22(29)26-25-21)23(30)27-14-12-18(13-15-27)9-8-17-6-4-3-5-7-17/h3-7,10-11,16,18H,2,8-9,12-15H2,1H3,(H,26,29)/p-1