[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CCCCC(=O)OCC(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C20H27N3O3/c1-5-6-12-19(25)26-14-18(24)21-17-13-16(20(2,3)4)22-23(17)15-10-8-7-9-11-15/h7-11,13H,5-6,12,14H2,1-4H3,(H,21,24)