N-(3-imidazol-1-ylpropyl)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazine-2-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-3-keto-2-methyl-4H-1,4-benzoxazine-2-carboxamide Formula: C16H18N4O3 MolecularWeight: 314.33912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2O1)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2O1)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C16H18N4O3/c1-16(14(21)18-7-4-9-20-10-8-17-11-20)15(22)19-12-5-2-3-6-13(12)23-16/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,18,21)(H,19,22)