5-(2,5-dimethylphenyl)-N-[1-oxidanylidene-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(2,5-dimethylphenyl)-N-[1-oxidanylidene-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide Openeye Name: N-[1-benzyl-2-oxo-2-(2-pyridylmethylamino)ethyl]-5-(2,5-dimethylphenyl)isoxazole-3-carboxamide CAS Name: 5-(2,5-dimethylphenyl)-N-[1-oxo-3-phenyl-1-(2-pyridinylmethylamino)propan-2-yl]-3-isoxazolecarboxamide IUPAC Name: 5-(2,5-dimethylphenyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide Traditional Name: N-[1-benzyl-2-keto-2-(2-pyridylmethylamino)ethyl]-5-(2,5-dimethylphenyl)isoxazole-3-carboxamide Formula: C27H26N4O3 MolecularWeight: 454.52034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CC(=NO2)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CC(=NO2)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C27H26N4O3/c1-18-11-12-19(2)22(14-18)25-16-24(31-34-25)27(33)30-23(15-20-8-4-3-5-9-20)26(32)29-17-21-10-6-7-13-28-21/h3-14,16,23H,15,17H2,1-2H3,(H,29,32)(H,30,33)