N-hexyl-3-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzamide

Systemtic Name: N-hexyl-3-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzamide Openeye Name: 3-[[6-(1,1-dimethylpropyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-hexyl-benzamide CAS Name: N-hexyl-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide IUPAC Name: N-hexyl-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide Traditional Name: 3-[(6-tert-amyl-3-keto-1,4-benzoxazin-4-yl)methyl]-N-hexyl-benzamide Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=CC=C1)CN2C(=O)COC3=C2C=C(C=C3)C(C)(C)CC

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=CC=C1)CN2C(=O)COC3=C2C=C(C=C3)C(C)(C)CC

InChI

InChI=1S/C27H36N2O3/c1-5-7-8-9-15-28-26(31)21-12-10-11-20(16-21)18-29-23-17-22(27(3,4)6-2)13-14-24(23)32-19-25(29)30/h10-14,16-17H,5-9,15,18-19H2,1-4H3,(H,28,31)