N-[(3-chlorophenyl)methyl]-5-[[(4-methylphenyl)carbonyl-phenethyl-amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-5-[[(4-methylphenyl)carbonyl-phenethyl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-5-[[(4-methylbenzoyl)-phenethyl-amino]methyl]isoxazole-3-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-5-[[[(4-methylphenyl)-oxomethyl]-phenethylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-5-[[(4-methylbenzoyl)-phenethylamino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-(3-chlorobenzyl)-5-[[phenethyl(p-toluoyl)amino]methyl]isoxazole-3-carboxamide Formula: C28H26ClN3O3 MolecularWeight: 487.97734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H26ClN3O3/c1-20-10-12-23(13-11-20)28(34)32(15-14-21-6-3-2-4-7-21)19-25-17-26(31-35-25)27(33)30-18-22-8-5-9-24(29)16-22/h2-13,16-17H,14-15,18-19H2,1H3,(H,30,33)