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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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