3-[5-[[3-tert-butyl-5-(piperazin-1-ylmethyl)phenyl]carbonylamino]-2-methyl-phenyl]-N-cyclohexyl-1,2-oxazole-5-carboxamide

Systemtic Name: 3-[5-[[3-tert-butyl-5-(piperazin-1-ylmethyl)phenyl]carbonylamino]-2-methyl-phenyl]-N-cyclohexyl-1,2-oxazole-5-carboxamide Openeye Name: 3-[5-[[3-tert-butyl-5-(piperazin-1-ylmethyl)benzoyl]amino]-2-methyl-phenyl]-N-cyclohexyl-isoxazole-5-carboxamide CAS Name: 3-[5-[[[3-tert-butyl-5-(1-piperazinylmethyl)phenyl]-oxomethyl]amino]-2-methylphenyl]-N-cyclohexyl-5-isoxazolecarboxamide IUPAC Name: 3-[5-[[3-tert-butyl-5-(piperazin-1-ylmethyl)benzoyl]amino]-2-methylphenyl]-N-cyclohexyl-1,2-oxazole-5-carboxamide Traditional Name: 3-[5-[[3-tert-butyl-5-(piperazinomethyl)benzoyl]amino]-2-methyl-phenyl]-N-cyclohexyl-isoxazole-5-carboxamide Formula: C33H43N5O3 MolecularWeight: 557.72622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)C(C)(C)C)CN3CCNCC3)C4=NOC(=C4)C(=O)NC5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)C(C)(C)C)CN3CCNCC3)C4=NOC(=C4)C(=O)NC5CCCCC5

InChI

InChI=1S/C33H43N5O3/c1-22-10-11-27(19-28(22)29-20-30(41-37-29)32(40)35-26-8-6-5-7-9-26)36-31(39)24-16-23(17-25(18-24)33(2,3)4)21-38-14-12-34-13-15-38/h10-11,16-20,26,34H,5-9,12-15,21H2,1-4H3,(H,35,40)(H,36,39)