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

Systemtic Name: 6-azanyl-2-[(4-nitrophenyl)methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]hexanamide Openeye Name: 6-amino-2-[(4-nitrophenyl)methyl-[(5-phenylisoxazol-3-yl)methyl]amino]hexanamide CAS Name: 6-amino-2-[(4-nitrophenyl)methyl-[(5-phenyl-3-isoxazolyl)methyl]amino]hexanamide IUPAC Name: 6-amino-2-[(4-nitrophenyl)methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]hexanamide Traditional Name: 6-amino-2-[(4-nitrobenzyl)-[(5-phenylisoxazol-3-yl)methyl]amino]hexanamide Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O4/c24-13-5-4-8-21(23(25)29)27(15-17-9-11-20(12-10-17)28(30)31)16-19-14-22(32-26-19)18-6-2-1-3-7-18/h1-3,6-7,9-12,14,21H,4-5,8,13,15-16,24H2,(H2,25,29)