methyl 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC3(CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC3(CCCCC3)C(=O)OC

InChI

InChI=1S/C21H27N3O3/c1-15-18(16(2)24(23-15)17-10-6-4-7-11-17)14-19(25)22-21(20(26)27-3)12-8-5-9-13-21/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3,(H,22,25)