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

Systemtic Name: 3-[5-[(3-cyano-5-pyrrolidin-1-yl-phenyl)carbonylamino]-2-methyl-phenyl]-N-cyclohexyl-1,2-oxazole-5-carboxamide Openeye Name: 3-[5-[(3-cyano-5-pyrrolidin-1-yl-benzoyl)amino]-2-methyl-phenyl]-N-cyclohexyl-isoxazole-5-carboxamide CAS Name: 3-[5-[[[3-cyano-5-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-2-methylphenyl]-N-cyclohexyl-5-isoxazolecarboxamide IUPAC Name: 3-[5-[(3-cyano-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylphenyl]-N-cyclohexyl-1,2-oxazole-5-carboxamide Traditional Name: 3-[5-[(3-cyano-5-pyrrolidino-benzoyl)amino]-2-methyl-phenyl]-N-cyclohexyl-isoxazole-5-carboxamide Formula: C29H31N5O3 MolecularWeight: 497.58814

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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)NC5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)C#N)N3CCCC3)C4=NOC(=C4)C(=O)NC5CCCCC5

InChI

InChI=1S/C29H31N5O3/c1-19-9-10-23(32-28(35)21-13-20(18-30)14-24(15-21)34-11-5-6-12-34)16-25(19)26-17-27(37-33-26)29(36)31-22-7-3-2-4-8-22/h9-10,13-17,22H,2-8,11-12H2,1H3,(H,31,36)(H,32,35)