N-(2-methylpropyl)-2-[4-oxidanylidene-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]pyran-3-yl]oxy-ethanamide

Systemtic Name: N-(2-methylpropyl)-2-[4-oxidanylidene-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]pyran-3-yl]oxy-ethanamide Openeye Name: 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxo-pyran-3-yl]oxy-N-isobutyl-acetamide CAS Name: N-(2-methylpropyl)-2-[[4-oxo-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3-pyranyl]oxy]acetamide IUPAC Name: 2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-methylpropyl)acetamide Traditional Name: 2-[6-[(4-benzylpiperazino)methyl]-4-keto-pyran-3-yl]oxy-N-isobutyl-acetamide Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC1=COC(=CC1=O)CN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)COC1=COC(=CC1=O)CN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4/c1-18(2)13-24-23(28)17-30-22-16-29-20(12-21(22)27)15-26-10-8-25(9-11-26)14-19-6-4-3-5-7-19/h3-7,12,16,18H,8-11,13-15,17H2,1-2H3,(H,24,28)