N-(2-fluoranyl-5-methyl-phenyl)-2-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-(2-fluoranyl-5-methyl-phenyl)-2-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-(2-fluoro-5-methyl-phenyl)-2-[(4-isopentylpiperazin-1-yl)methyl]oxazole-4-carboxamide CAS Name: N-(2-fluoro-5-methylphenyl)-2-[[4-(3-methylbutyl)-1-piperazinyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-(2-fluoro-5-methylphenyl)-2-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide Traditional Name: N-(2-fluoro-5-methyl-phenyl)-2-[(4-isoamylpiperazino)methyl]oxazole-4-carboxamide Formula: C21H29FN4O2 MolecularWeight: 388.478963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)NC(=O)C2=COC(=N2)CN3CCN(CC3)CCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)F)NC(=O)C2=COC(=N2)CN3CCN(CC3)CCC(C)C

InChI

InChI=1S/C21H29FN4O2/c1-15(2)6-7-25-8-10-26(11-9-25)13-20-23-19(14-28-20)21(27)24-18-12-16(3)4-5-17(18)22/h4-5,12,14-15H,6-11,13H2,1-3H3,(H,24,27)