[1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-(4-chlorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxylic acid [1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-(4-chlorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-chlorobenzoyl)nipecotic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H27ClN4O4 MolecularWeight: 446.92718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN4O4/c1-14(2)27-19(10-11-24-27)25-20(28)15(3)31-22(30)17-5-4-12-26(13-17)21(29)16-6-8-18(23)9-7-16/h6-11,14-15,17H,4-5,12-13H2,1-3H3,(H,25,28)