N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-1-(4-chlorophenyl)-5-(2-furyl)pyrazole-3-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-chlorophenyl)-5-(2-furanyl)-3-pyrazolecarboxamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-1-(4-chlorophenyl)-5-(2-furyl)pyrazole-3-carboxamide Formula: C20H21ClN4O3 MolecularWeight: 400.85874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O3/c1-20(2,3)23-18(26)12-22-19(27)15-11-16(17-5-4-10-28-17)25(24-15)14-8-6-13(21)7-9-14/h4-11H,12H2,1-3H3,(H,22,27)(H,23,26)