methyl 2-[[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[1-(4-chlorophenyl)-5-(2-furyl)pyrazole-3-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[1-(4-chlorophenyl)-5-(2-furanyl)-3-pyrazolyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methylpentanoate Traditional Name: 2-[[1-(4-chlorophenyl)-5-(2-furyl)pyrazole-3-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=NN(C(=C1)C2=CC=CO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1=NN(C(=C1)C2=CC=CO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O4/c1-13(2)11-17(21(27)28-3)23-20(26)16-12-18(19-5-4-10-29-19)25(24-16)15-8-6-14(22)7-9-15/h4-10,12-13,17H,11H2,1-3H3,(H,23,26)