N-(5-chloranyl-2-oxidanyl-phenyl)-1-[1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-oxidanyl-phenyl)-1-[1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-hydroxy-phenyl)-1-[2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: N-(5-chloro-2-hydroxyphenyl)-1-[1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl]-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-hydroxyphenyl)-1-[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]piperidine-4-carboxamide Traditional Name: N-(5-chloro-2-hydroxy-phenyl)-1-[2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl]isonipecotamide Formula: C21H28ClN5O3 MolecularWeight: 433.93172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C21H28ClN5O3/c1-13(2)27-19(6-9-23-27)25-20(29)14(3)26-10-7-15(8-11-26)21(30)24-17-12-16(22)4-5-18(17)28/h4-6,9,12-15,28H,7-8,10-11H2,1-3H3,(H,24,30)(H,25,29)