6-[5-methyl-4-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]carbamoyl]pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[5-methyl-4-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]carbamoyl]pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[5-methyl-4-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]carbamoyl]pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[5-methyl-4-[[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]-oxomethyl]-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[5-methyl-4-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]carbamoyl]pyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[5-methyl-4-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]carbamoyl]pyrazol-1-yl]pyridazin-3-olate Formula: C22H26N5O2- MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C(C)C)NC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)[O-])C

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@@H](C(C)C)NC(=O)C2=C(N(N=C2)C3=NN=C(C=C3)[O-])C

InChI

InChI=1S/C22H27N5O2/c1-5-6-16-7-9-17(10-8-16)21(14(2)3)24-22(29)18-13-23-27(15(18)4)19-11-12-20(28)26-25-19/h7-14,21H,5-6H2,1-4H3,(H,24,29)(H,26,28)/p-1/t21-/m1/s1