2-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]pyrazole-3-carboxylic acid Openeye Name: 2-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-[(1-isopropyl-4-piperidyl)carbamoyl]pyrazole-3-carboxylic acid CAS Name: 2-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-5-[oxo-[(1-propan-2-yl-4-piperidinyl)amino]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]pyrazole-3-carboxylic acid Traditional Name: 2-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-[(1-isopropyl-4-piperidyl)carbamoyl]pyrazole-3-carboxylic acid Formula: C21H24ClN5O4S MolecularWeight: 477.96436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)NC(=O)C2=NN(C(=C2)C(=O)O)CC3=NOC(=C3)C4=CC=C(S4)Cl

Isomeric SMILES

CC(C)N1CCC(CC1)NC(=O)C2=NN(C(=C2)C(=O)O)CC3=NOC(=C3)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H24ClN5O4S/c1-12(2)26-7-5-13(6-8-26)23-20(28)15-10-16(21(29)30)27(24-15)11-14-9-17(31-25-14)18-3-4-19(22)32-18/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,23,28)(H,29,30)