6-[4-[[4-[(2S)-butan-2-yl]phenyl]carbamoyl]-5-methyl-pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[4-[[4-[(2S)-butan-2-yl]phenyl]carbamoyl]-5-methyl-pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[5-methyl-4-[[4-[(1S)-1-methylpropyl]phenyl]carbamoyl]pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[4-[[4-[(2S)-butan-2-yl]anilino]-oxomethyl]-5-methyl-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[4-[[4-[(2S)-butan-2-yl]phenyl]carbamoyl]-5-methylpyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[5-methyl-4-[[4-[(1S)-1-methylpropyl]phenyl]carbamoyl]pyrazol-1-yl]pyridazin-3-olate Formula: C19H20N5O2- MolecularWeight: 350.3944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)[O-])C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)[O-])C

InChI

InChI=1S/C19H21N5O2/c1-4-12(2)14-5-7-15(8-6-14)21-19(26)16-11-20-24(13(16)3)17-9-10-18(25)23-22-17/h5-12H,4H2,1-3H3,(H,21,26)(H,23,25)/p-1/t12-/m0/s1