(4-aminocarbonylphenyl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (4-aminocarbonylphenyl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (4-carbamoylphenyl)methyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (4-carbamoylphenyl)methyl ester IUPAC Name: (4-carbamoylphenyl)methyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (4-carbamoylbenzyl) ester Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=CC=C(C=C2)C(=O)N)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=CC=C(C=C2)C(=O)N)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O3/c1-13-17(18(21)24(23-13)11-14-5-3-2-4-6-14)20(26)27-12-15-7-9-16(10-8-15)19(22)25/h2-10H,11-12H2,1H3,(H2,22,25)