5-(3,3-dimethyl-2-oxidanylidene-butoxy)-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one

Systemtic Name: 5-(3,3-dimethyl-2-oxidanylidene-butoxy)-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one Openeye Name: 5-(3,3-dimethyl-2-oxo-butoxy)-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one CAS Name: 5-(3,3-dimethyl-2-oxobutoxy)-2-[(4-phenyl-1-piperazinyl)methyl]-4-pyranone IUPAC Name: 5-(3,3-dimethyl-2-oxobutoxy)-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one Traditional Name: 5-(2-keto-3,3-dimethyl-butoxy)-2-[(4-phenylpiperazino)methyl]pyran-4-one Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-22(2,3)21(26)16-28-20-15-27-18(13-19(20)25)14-23-9-11-24(12-10-23)17-7-5-4-6-8-17/h4-8,13,15H,9-12,14,16H2,1-3H3