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

Systemtic Name: N-butan-2-yl-2-[[4-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide Openeye Name: 2-[[4-[(4-hydroxy-3-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-N-sec-butyl-oxazole-4-carboxamide CAS Name: N-butan-2-yl-2-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]-1-piperazinyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-butan-2-yl-2-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-sec-butyl-2-[(4-vanillylpiperazino)methyl]oxazole-4-carboxamide Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=COC(=N1)CN2CCN(CC2)CC3=CC(=C(C=C3)O)OC

Isomeric SMILES

CCC(C)NC(=O)C1=COC(=N1)CN2CCN(CC2)CC3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C21H30N4O4/c1-4-15(2)22-21(27)17-14-29-20(23-17)13-25-9-7-24(8-10-25)12-16-5-6-18(26)19(11-16)28-3/h5-6,11,14-15,26H,4,7-10,12-13H2,1-3H3,(H,22,27)