2-[3-(4-carbamimidoylphenyl)-4,4-dimethyl-5H-1,2-oxazol-5-yl]-N-methyl-N-(2-methyl-4-oxidanylidene-pentyl)ethanamide

Systemtic Name: 2-[3-(4-carbamimidoylphenyl)-4,4-dimethyl-5H-1,2-oxazol-5-yl]-N-methyl-N-(2-methyl-4-oxidanylidene-pentyl)ethanamide Openeye Name: 2-[3-(4-carbamimidoylphenyl)-4,4-dimethyl-5H-isoxazol-5-yl]-N-methyl-N-(2-methyl-4-oxo-pentyl)acetamide CAS Name: 2-[3-(4-carbamimidoylphenyl)-4,4-dimethyl-5H-isoxazol-5-yl]-N-methyl-N-(2-methyl-4-oxopentyl)acetamide IUPAC Name: 2-[3-(4-carbamimidoylphenyl)-4,4-dimethyl-5H-1,2-oxazol-5-yl]-N-methyl-N-(2-methyl-4-oxopentyl)acetamide Traditional Name: 2-[3-(4-amidinophenyl)-4,4-dimethyl-2-isoxazolin-5-yl]-N-(4-keto-2-methyl-pentyl)-N-methyl-acetamide Formula: C21H30N4O3 MolecularWeight: 386.4879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C)CN(C)C(=O)CC1C(C(=NO1)C2=CC=C(C=C2)C(=N)N)(C)C

Isomeric SMILES

CC(CC(=O)C)CN(C)C(=O)CC1C(C(=NO1)C2=CC=C(C=C2)C(=N)N)(C)C

InChI

InChI=1S/C21H30N4O3/c1-13(10-14(2)26)12-25(5)18(27)11-17-21(3,4)19(24-28-17)15-6-8-16(9-7-15)20(22)23/h6-9,13,17H,10-12H2,1-5H3,(H3,22,23)