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

Systemtic Name: methyl 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]benzoate Openeye Name: methyl 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]benzoate CAS Name: 4-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]benzoate Traditional Name: 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]benzoic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O3/c1-14-19(15(2)24(23-14)18-7-5-4-6-8-18)13-22-20(25)16-9-11-17(12-10-16)21(26)27-3/h4-12H,13H2,1-3H3,(H,22,25)