[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)NC1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCCCC(=O)OCC(=O)NC1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C18H23N3O3/c1-4-5-11-17(23)24-12-16(22)19-18-13(2)20-21(14(18)3)15-9-7-6-8-10-15/h6-10H,4-5,11-12H2,1-3H3,(H,19,22)