methyl 4-[[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)-methyl-amino]methyl]benzoate CAS Name: 4-[[[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)-methylamino]methyl]benzoate Traditional Name: 4-[[(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)-methyl-amino]methyl]benzoic acid methyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N(C)CC2=CC=C(C=C2)C(=O)OC)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)N(C)CC2=CC=C(C=C2)C(=O)OC)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O3/c1-15-19(20(23)26(24-15)14-16-7-5-4-6-8-16)21(27)25(2)13-17-9-11-18(12-10-17)22(28)29-3/h4-12H,13-14H2,1-3H3