N-(2-methylpropyl)-2-[[4-(2-oxidanyl-2-phenyl-ethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-(2-methylpropyl)-2-[[4-(2-oxidanyl-2-phenyl-ethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide Openeye Name: 2-[[4-(2-hydroxy-2-phenyl-ethyl)piperazin-1-yl]methyl]-N-isobutyl-oxazole-4-carboxamide CAS Name: 2-[[4-(2-hydroxy-2-phenylethyl)-1-piperazinyl]methyl]-N-(2-methylpropyl)-4-oxazolecarboxamide IUPAC Name: 2-[[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[[4-(2-hydroxy-2-phenyl-ethyl)piperazino]methyl]-N-isobutyl-oxazole-4-carboxamide Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=COC(=N1)CN2CCN(CC2)CC(C3=CC=CC=C3)O

Isomeric SMILES

CC(C)CNC(=O)C1=COC(=N1)CN2CCN(CC2)CC(C3=CC=CC=C3)O

InChI

InChI=1S/C21H30N4O3/c1-16(2)12-22-21(27)18-15-28-20(23-18)14-25-10-8-24(9-11-25)13-19(26)17-6-4-3-5-7-17/h3-7,15-16,19,26H,8-14H2,1-2H3,(H,22,27)