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

Systemtic Name: N-[(4-methylphenyl)methyl]-5-[[(3-nitrophenyl)carbonyl-phenethyl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[[(3-nitrobenzoyl)-phenethyl-amino]methyl]-N-(p-tolylmethyl)isoxazole-3-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-5-[[[(3-nitrophenyl)-oxomethyl]-phenethylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-5-[[(3-nitrobenzoyl)-phenethylamino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-(4-methylbenzyl)-5-[[(3-nitrobenzoyl)-phenethyl-amino]methyl]isoxazole-3-carboxamide Formula: C28H26N4O5 MolecularWeight: 498.52984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)CN(CCC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)CN(CCC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H26N4O5/c1-20-10-12-22(13-11-20)18-29-27(33)26-17-25(37-30-26)19-31(15-14-21-6-3-2-4-7-21)28(34)23-8-5-9-24(16-23)32(35)36/h2-13,16-17H,14-15,18-19H2,1H3,(H,29,33)