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

Systemtic Name: methyl 3-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]-4-methyl-benzoate CAS Name: 3-[[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]-4-methylbenzoate Traditional Name: 3-[(1-benzyl-5-chloro-3-methyl-pyrazole-4-carbonyl)amino]-4-methyl-benzoic acid methyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-13-9-10-16(21(27)28-3)11-17(13)23-20(26)18-14(2)24-25(19(18)22)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,23,26)