N-(3-methylbutyl)-2-[[3-methylbutyl-(4-methyl-3-nitro-phenyl)carbonyl-amino]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-2-[[3-methylbutyl-(4-methyl-3-nitro-phenyl)carbonyl-amino]methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-isopentyl-2-[[isopentyl-(4-methyl-3-nitro-benzoyl)amino]methyl]oxazole-4-carboxamide CAS Name: N-(3-methylbutyl)-2-[[3-methylbutyl-[(4-methyl-3-nitrophenyl)-oxomethyl]amino]methyl]-4-oxazolecarboxamide IUPAC Name: N-(3-methylbutyl)-2-[[3-methylbutyl-(4-methyl-3-nitrobenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-isoamyl-2-[[isoamyl-(4-methyl-3-nitro-benzoyl)amino]methyl]oxazole-4-carboxamide Formula: C23H32N4O5 MolecularWeight: 444.52398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCC(C)C)CC2=NC(=CO2)C(=O)NCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCC(C)C)CC2=NC(=CO2)C(=O)NCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H32N4O5/c1-15(2)8-10-24-22(28)19-14-32-21(25-19)13-26(11-9-16(3)4)23(29)18-7-6-17(5)20(12-18)27(30)31/h6-7,12,14-16H,8-11,13H2,1-5H3,(H,24,28)