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

Systemtic Name: 6-[4-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-5-methyl-pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-5-methyl-pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[4-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-oxomethyl]-5-methyl-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[4-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-5-methylpyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[4-[4-(4-cyanobenzyl)piperazine-1-carbonyl]-5-methyl-pyrazol-1-yl]pyridazin-3-olate Formula: C21H20N7O2- MolecularWeight: 402.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C=NN1C2=NN=C(C=C2)[O-])C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H21N7O2/c1-15-18(13-23-28(15)19-6-7-20(29)25-24-19)21(30)27-10-8-26(9-11-27)14-17-4-2-16(12-22)3-5-17/h2-7,13H,8-11,14H2,1H3,(H,25,29)/p-1