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

Systemtic Name: methyl 4-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylcarbamoyl]benzoate Openeye Name: methyl 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamoyl]benzoate CAS Name: 4-[[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]benzoate Traditional Name: 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamoyl]benzoic acid methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H23N3O3/c1-15-20(16(2)25(24-15)14-17-7-5-4-6-8-17)13-23-21(26)18-9-11-19(12-10-18)22(27)28-3/h4-12H,13-14H2,1-3H3,(H,23,26)