N-[4-(4-methylpent-1-ynyl)-2-oxidanylidene-4-(trifluoromethyl)-1H-3,1-benzoxazin-6-yl]ethanamide

Systemtic Name: N-[4-(4-methylpent-1-ynyl)-2-oxidanylidene-4-(trifluoromethyl)-1H-3,1-benzoxazin-6-yl]ethanamide Openeye Name: N-[4-(4-methylpent-1-ynyl)-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-6-yl]acetamide CAS Name: N-[4-(4-methylpent-1-ynyl)-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-6-yl]acetamide IUPAC Name: N-[4-(4-methylpent-1-ynyl)-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-6-yl]acetamide Traditional Name: N-[2-keto-4-(4-methylpent-1-ynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-6-yl]acetamide Formula: C17H17F3N2O3 MolecularWeight: 354.32369

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC#CC1(C2=C(C=CC(=C2)NC(=O)C)NC(=O)O1)C(F)(F)F

Isomeric SMILES

CC(C)CC#CC1(C2=C(C=CC(=C2)NC(=O)C)NC(=O)O1)C(F)(F)F

InChI

InChI=1S/C17H17F3N2O3/c1-10(2)5-4-8-16(17(18,19)20)13-9-12(21-11(3)23)6-7-14(13)22-15(24)25-16/h6-7,9-10H,5H2,1-3H3,(H,21,23)(H,22,24)