N-[(3-chlorophenyl)methyl]-5-[[(phenylmethyl)-pyridin-3-ylcarbonyl-amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-5-[[(phenylmethyl)-pyridin-3-ylcarbonyl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[[benzyl(pyridine-3-carbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]isoxazole-3-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-5-[[[oxo(3-pyridinyl)methyl]-(phenylmethyl)amino]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-[[benzyl(pyridine-3-carbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[benzyl(nicotinoyl)amino]methyl]-N-(3-chlorobenzyl)isoxazole-3-carboxamide Formula: C25H21ClN4O3 MolecularWeight: 460.91224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC(=NO2)C(=O)NCC3=CC(=CC=C3)Cl)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC(=NO2)C(=O)NCC3=CC(=CC=C3)Cl)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H21ClN4O3/c26-21-10-4-8-19(12-21)14-28-24(31)23-13-22(33-29-23)17-30(16-18-6-2-1-3-7-18)25(32)20-9-5-11-27-15-20/h1-13,15H,14,16-17H2,(H,28,31)