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

Systemtic Name: 6-azanyl-2-[(4-cyanophenyl)methyl-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]amino]hexanamide Openeye Name: 6-amino-2-[(4-cyanophenyl)methyl-[[5-(p-tolyl)isoxazol-3-yl]methyl]amino]hexanamide CAS Name: 6-amino-2-[(4-cyanophenyl)methyl-[[5-(4-methylphenyl)-3-isoxazolyl]methyl]amino]hexanamide IUPAC Name: 6-amino-2-[(4-cyanophenyl)methyl-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]amino]hexanamide Traditional Name: 6-amino-2-[(4-cyanobenzyl)-[[5-(p-tolyl)isoxazol-3-yl]methyl]amino]hexanamide Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)CN(CC3=CC=C(C=C3)C#N)C(CCCCN)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)CN(CC3=CC=C(C=C3)C#N)C(CCCCN)C(=O)N

InChI

InChI=1S/C25H29N5O2/c1-18-5-11-21(12-6-18)24-14-22(29-32-24)17-30(23(25(28)31)4-2-3-13-26)16-20-9-7-19(15-27)8-10-20/h5-12,14,23H,2-4,13,16-17,26H2,1H3,(H2,28,31)