[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3/c1-14-8-6-7-11-18(14)22-19(24)15(2)26-20(25)16-12-21-23(13-16)17-9-4-3-5-10-17/h3-5,9-10,12-15,18H,6-8,11H2,1-2H3,(H,22,24)