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

Systemtic Name: 3-[5-[(3-cyano-5-pyrrolidin-1-yl-phenyl)carbonylamino]-2-methyl-phenyl]-N-piperidin-1-yl-1,2-oxazole-5-carboxamide Openeye Name: 3-[5-[(3-cyano-5-pyrrolidin-1-yl-benzoyl)amino]-2-methyl-phenyl]-N-(1-piperidyl)isoxazole-5-carboxamide CAS Name: 3-[5-[[[3-cyano-5-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-2-methylphenyl]-N-(1-piperidinyl)-5-isoxazolecarboxamide IUPAC Name: 3-[5-[(3-cyano-5-pyrrolidin-1-ylbenzoyl)amino]-2-methylphenyl]-N-piperidin-1-yl-1,2-oxazole-5-carboxamide Traditional Name: 3-[5-[(3-cyano-5-pyrrolidino-benzoyl)amino]-2-methyl-phenyl]-N-piperidino-isoxazole-5-carboxamide Formula: C28H30N6O3 MolecularWeight: 498.5762

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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)NN5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)C#N)N3CCCC3)C4=NOC(=C4)C(=O)NN5CCCCC5

InChI

InChI=1S/C28H30N6O3/c1-19-7-8-22(30-27(35)21-13-20(18-29)14-23(15-21)33-9-5-6-10-33)16-24(19)25-17-26(37-32-25)28(36)31-34-11-3-2-4-12-34/h7-8,13-17H,2-6,9-12H2,1H3,(H,30,35)(H,31,36)