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

Systemtic Name: 3-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 3-[[6-(1,1-dimethylpropyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-(2-pyridylmethyl)benzamide CAS Name: 3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 3-[(6-tert-amyl-3-keto-1,4-benzoxazin-4-yl)methyl]-N-(2-pyridylmethyl)benzamide Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C27H29N3O3/c1-4-27(2,3)21-11-12-24-23(15-21)30(25(31)18-33-24)17-19-8-7-9-20(14-19)26(32)29-16-22-10-5-6-13-28-22/h5-15H,4,16-18H2,1-3H3,(H,29,32)