N-(3,5-dimethylphenyl)-2-[4-oxidanylidene-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[4-oxidanylidene-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxy-acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[[4-oxo-6-[(4-phenyl-1-piperazinyl)methyl]-3-pyranyl]oxy]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[4-keto-6-[(4-phenylpiperazino)methyl]pyran-3-yl]oxy-acetamide Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC2=COC(=CC2=O)CN3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC2=COC(=CC2=O)CN3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H29N3O4/c1-19-12-20(2)14-21(13-19)27-26(31)18-33-25-17-32-23(15-24(25)30)16-28-8-10-29(11-9-28)22-6-4-3-5-7-22/h3-7,12-15,17H,8-11,16,18H2,1-2H3,(H,27,31)