methyl 3-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]-4-methyl-benzoate CAS Name: 3-[[3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoylamino]-4-methylbenzoate Traditional Name: 3-[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3O3/c1-15-10-11-18(23(28)29-4)14-21(15)24-22(27)13-12-20-16(2)25-26(17(20)3)19-8-6-5-7-9-19/h5-11,14H,12-13H2,1-4H3,(H,24,27)