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

Systemtic Name: 4-[[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]methyl]benzoate Openeye Name: 4-[[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]methyl]benzoate CAS Name: 4-[[[3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxopropyl]amino]methyl]benzoate IUPAC Name: 4-[[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]methyl]benzoate Formula: C22H22N3O3- MolecularWeight: 376.42838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C22H23N3O3/c1-15-20(16(2)25(24-15)19-6-4-3-5-7-19)12-13-21(26)23-14-17-8-10-18(11-9-17)22(27)28/h3-11H,12-14H2,1-2H3,(H,23,26)(H,27,28)/p-1