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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=CC(=C3)C(=O)NCC4=CN=CC=C4

InChI

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