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

Systemtic Name: 5-(3-chlorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(3-chlorophenyl)-N-[[4-(isopropylcarbamoylamino)phenyl]methyl]isoxazole-3-carboxamide CAS Name: 5-(3-chlorophenyl)-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-(3-chlorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(3-chlorophenyl)-N-[4-(isopropylcarbamoylamino)benzyl]isoxazole-3-carboxamide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3/c1-13(2)24-21(28)25-17-8-6-14(7-9-17)12-23-20(27)18-11-19(29-26-18)15-4-3-5-16(22)10-15/h3-11,13H,12H2,1-2H3,(H,23,27)(H2,24,25,28)