[2-(dimethylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N(C)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N(C)C)CC3=CC=CC=C3)C

InChI

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