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

Systemtic Name: 5-(3,3-dimethyl-2-oxidanylidene-butoxy)-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5-(3,3-dimethyl-2-oxo-butoxy)pyran-4-one CAS Name: 5-(3,3-dimethyl-2-oxobutoxy)-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5-(3,3-dimethyl-2-oxobutoxy)pyran-4-one Traditional Name: 2-[(4-benzylpiperazino)methyl]-5-(2-keto-3,3-dimethyl-butoxy)pyran-4-one Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c1-23(2,3)22(27)17-29-21-16-28-19(13-20(21)26)15-25-11-9-24(10-12-25)14-18-7-5-4-6-8-18/h4-8,13,16H,9-12,14-15,17H2,1-3H3