6-azanyl-2-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl-[(3-nitrophenyl)methyl]amino]hexanamide

Systemtic Name: 6-azanyl-2-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl-[(3-nitrophenyl)methyl]amino]hexanamide Openeye Name: 6-amino-2-[(3-nitrophenyl)methyl-[[5-(p-tolyl)isoxazol-3-yl]methyl]amino]hexanamide CAS Name: 6-amino-2-[[5-(4-methylphenyl)-3-isoxazolyl]methyl-[(3-nitrophenyl)methyl]amino]hexanamide IUPAC Name: 6-amino-2-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl-[(3-nitrophenyl)methyl]amino]hexanamide Traditional Name: 6-amino-2-[(3-nitrobenzyl)-[[5-(p-tolyl)isoxazol-3-yl]methyl]amino]hexanamide Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)CN(CC3=CC(=CC=C3)[N+](=O)[O-])C(CCCCN)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)CN(CC3=CC(=CC=C3)[N+](=O)[O-])C(CCCCN)C(=O)N

InChI

InChI=1S/C24H29N5O4/c1-17-8-10-19(11-9-17)23-14-20(27-33-23)16-28(22(24(26)30)7-2-3-12-25)15-18-5-4-6-21(13-18)29(31)32/h4-6,8-11,13-14,22H,2-3,7,12,15-16,25H2,1H3,(H2,26,30)