N-(3-azanyl-3-oxidanylidene-propyl)-N-[1-[3-methyl-4-oxidanylidene-5-(phenylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-(3-azanyl-3-oxidanylidene-propyl)-N-[1-[3-methyl-4-oxidanylidene-5-(phenylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]propyl]-3-(trifluoromethyl)benzamide Openeye Name: N-(3-amino-3-oxo-propyl)-N-[1-(5-benzyl-3-methyl-4-oxo-isoxazolo[5,4-d]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzamide CAS Name: N-(3-amino-3-oxopropyl)-N-[1-[3-methyl-4-oxo-5-(phenylmethyl)-6-isoxazolo[5,4-d]pyrimidinyl]propyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-(3-amino-3-oxopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzamide Traditional Name: N-(3-amino-3-keto-propyl)-N-[1-(5-benzyl-4-keto-3-methyl-isoxazolo[5,4-d]pyrimidin-6-yl)propyl]-3-(trifluoromethyl)benzamide Formula: C27H26F3N5O4 MolecularWeight: 541.52165

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C(=NO2)C)C(=O)N1CC3=CC=CC=C3)N(CCC(=O)N)C(=O)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CCC(C1=NC2=C(C(=NO2)C)C(=O)N1CC3=CC=CC=C3)N(CCC(=O)N)C(=O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C27H26F3N5O4/c1-3-20(34(13-12-21(31)36)25(37)18-10-7-11-19(14-18)27(28,29)30)23-32-24-22(16(2)33-39-24)26(38)35(23)15-17-8-5-4-6-9-17/h4-11,14,20H,3,12-13,15H2,1-2H3,(H2,31,36)