2-chloroethyl 5-[2-[4-(2-chloroethyloxycarbonylamino)phenyl]propanoylamino]-3-cyclobutyl-pyrazole-1-carboxylate

Systemtic Name: 2-chloroethyl 5-[2-[4-(2-chloroethyloxycarbonylamino)phenyl]propanoylamino]-3-cyclobutyl-pyrazole-1-carboxylate Openeye Name: 2-chloroethyl 5-[2-[4-(2-chloroethoxycarbonylamino)phenyl]propanoylamino]-3-cyclobutyl-pyrazole-1-carboxylate CAS Name: 5-[[2-[4-[[2-chloroethoxy(oxo)methyl]amino]phenyl]-1-oxopropyl]amino]-3-cyclobutyl-1-pyrazolecarboxylic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 5-[2-[4-(2-chloroethoxycarbonylamino)phenyl]propanoylamino]-3-cyclobutylpyrazole-1-carboxylate Traditional Name: 5-[2-[4-(2-chloroethoxycarbonylamino)phenyl]propanoylamino]-3-cyclobutyl-pyrazole-1-carboxylic acid 2-chloroethyl ester Formula: C22H26Cl2N4O5 MolecularWeight: 497.37164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)OCCCl)C(=O)NC2=CC(=NN2C(=O)OCCCl)C3CCC3

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)OCCCl)C(=O)NC2=CC(=NN2C(=O)OCCCl)C3CCC3

InChI

InChI=1S/C22H26Cl2N4O5/c1-14(15-5-7-17(8-6-15)25-21(30)32-11-9-23)20(29)26-19-13-18(16-3-2-4-16)27-28(19)22(31)33-12-10-24/h5-8,13-14,16H,2-4,9-12H2,1H3,(H,25,30)(H,26,29)