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

Systemtic Name: N-(3-methylbutyl)-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-isopentyl-oxazole-4-carboxamide CAS Name: 2-[[4-(2-hydroxy-2-phenylethyl)-1-piperazinyl]methyl]-N-(3-methylbutyl)-4-oxazolecarboxamide IUPAC Name: 2-[[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methyl]-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[[4-(2-hydroxy-2-phenyl-ethyl)piperazino]methyl]-N-isoamyl-oxazole-4-carboxamide Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O3/c1-17(2)8-9-23-22(28)19-16-29-21(24-19)15-26-12-10-25(11-13-26)14-20(27)18-6-4-3-5-7-18/h3-7,16-17,20,27H,8-15H2,1-2H3,(H,23,28)