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

Systemtic Name: N-[(4-methylphenyl)methyl]-5-[[(3-nitrophenyl)carbonyl-pentan-3-yl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[[1-ethylpropyl-(3-nitrobenzoyl)amino]methyl]-N-(p-tolylmethyl)isoxazole-3-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-5-[[[(3-nitrophenyl)-oxomethyl]-pentan-3-ylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-5-[[(3-nitrobenzoyl)-pentan-3-ylamino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[1-ethylpropyl-(3-nitrobenzoyl)amino]methyl]-N-(4-methylbenzyl)isoxazole-3-carboxamide Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N(CC1=CC(=NO1)C(=O)NCC2=CC=C(C=C2)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)N(CC1=CC(=NO1)C(=O)NCC2=CC=C(C=C2)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O5/c1-4-20(5-2)28(25(31)19-7-6-8-21(13-19)29(32)33)16-22-14-23(27-34-22)24(30)26-15-18-11-9-17(3)10-12-18/h6-14,20H,4-5,15-16H2,1-3H3,(H,26,30)