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

Systemtic Name: 5-(2,5-dimethylphenyl)-N-[3-oxidanylidene-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(2,5-dimethylphenyl)-N-[3-oxo-3-(3-pyridylmethylamino)propyl]isoxazole-3-carboxamide CAS Name: 5-(2,5-dimethylphenyl)-N-[3-oxo-3-(3-pyridinylmethylamino)propyl]-3-isoxazolecarboxamide IUPAC Name: 5-(2,5-dimethylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(2,5-dimethylphenyl)-N-[3-keto-3-(3-pyridylmethylamino)propyl]isoxazole-3-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CC(=NO2)C(=O)NCCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CC(=NO2)C(=O)NCCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-14-5-6-15(2)17(10-14)19-11-18(25-28-19)21(27)23-9-7-20(26)24-13-16-4-3-8-22-12-16/h3-6,8,10-12H,7,9,13H2,1-2H3,(H,23,27)(H,24,26)