[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C24H26ClN3O5 MolecularWeight: 471.93334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NCC2=CC(=C(C=C2)OC)OC)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C)C(=O)NCC2=CC(=C(C=C2)OC)OC)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C24H26ClN3O5/c1-15-21(22(25)28(27-15)14-17-8-6-5-7-9-17)24(30)33-16(2)23(29)26-13-18-10-11-19(31-3)20(12-18)32-4/h5-12,16H,13-14H2,1-4H3,(H,26,29)