3-[5-[(3-tert-butyl-5-cyano-phenyl)carbonylamino]-2-methyl-phenyl]-N-piperidin-1-yl-1,2-oxazole-5-carboxamide

Systemtic Name: 3-[5-[(3-tert-butyl-5-cyano-phenyl)carbonylamino]-2-methyl-phenyl]-N-piperidin-1-yl-1,2-oxazole-5-carboxamide Openeye Name: 3-[5-[(3-tert-butyl-5-cyano-benzoyl)amino]-2-methyl-phenyl]-N-(1-piperidyl)isoxazole-5-carboxamide CAS Name: 3-[5-[[(3-tert-butyl-5-cyanophenyl)-oxomethyl]amino]-2-methylphenyl]-N-(1-piperidinyl)-5-isoxazolecarboxamide IUPAC Name: 3-[5-[(3-tert-butyl-5-cyanobenzoyl)amino]-2-methylphenyl]-N-piperidin-1-yl-1,2-oxazole-5-carboxamide Traditional Name: 3-[5-[(3-tert-butyl-5-cyano-benzoyl)amino]-2-methyl-phenyl]-N-piperidino-isoxazole-5-carboxamide Formula: C28H31N5O3 MolecularWeight: 485.57744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)C#N)C(C)(C)C)C3=NOC(=C3)C(=O)NN4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)C#N)C(C)(C)C)C3=NOC(=C3)C(=O)NN4CCCCC4

InChI

InChI=1S/C28H31N5O3/c1-18-8-9-22(30-26(34)20-12-19(17-29)13-21(14-20)28(2,3)4)15-23(18)24-16-25(36-32-24)27(35)31-33-10-6-5-7-11-33/h8-9,12-16H,5-7,10-11H2,1-4H3,(H,30,34)(H,31,35)