3-[5-[(3-cyano-5-pyrrolidin-1-yl-phenyl)carbonylamino]-2-methyl-phenyl]-N-morpholin-4-yl-1,2-oxazole-5-carboxamide

Systemtic Name: 3-[5-[(3-cyano-5-pyrrolidin-1-yl-phenyl)carbonylamino]-2-methyl-phenyl]-N-morpholin-4-yl-1,2-oxazole-5-carboxamide Openeye Name: 3-[5-[(3-cyano-5-pyrrolidin-1-yl-benzoyl)amino]-2-methyl-phenyl]-N-morpholino-isoxazole-5-carboxamide CAS Name: 3-[5-[[[3-cyano-5-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-2-methylphenyl]-N-(4-morpholinyl)-5-isoxazolecarboxamide IUPAC Name: 3-[5-[(3-cyano-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylphenyl]-N-morpholin-4-yl-1,2-oxazole-5-carboxamide Traditional Name: 3-[5-[(3-cyano-5-pyrrolidino-benzoyl)amino]-2-methyl-phenyl]-N-morpholino-isoxazole-5-carboxamide Formula: C27H28N6O4 MolecularWeight: 500.54902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)C#N)N3CCCC3)C4=NOC(=C4)C(=O)NN5CCOCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)C#N)N3CCCC3)C4=NOC(=C4)C(=O)NN5CCOCC5

InChI

InChI=1S/C27H28N6O4/c1-18-4-5-21(29-26(34)20-12-19(17-28)13-22(14-20)32-6-2-3-7-32)15-23(18)24-16-25(37-31-24)27(35)30-33-8-10-36-11-9-33/h4-5,12-16H,2-3,6-11H2,1H3,(H,29,34)(H,30,35)