3-phenyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-1,2-oxazole-5-carboxamide

Systemtic Name: 3-phenyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-1,2-oxazole-5-carboxamide Openeye Name: N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-3-phenyl-isoxazole-5-carboxamide CAS Name: N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-3-phenyl-5-isoxazolecarboxamide IUPAC Name: 3-phenyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-1,2-oxazole-5-carboxamide Traditional Name: N-[4-(isopropylcarbamoylamino)benzyl]-3-phenyl-isoxazole-5-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC(=NO2)C3=CC=CC=C3

InChI

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