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

Systemtic Name: 5-(3,3-dimethyl-2-oxidanylidene-butoxy)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-(3,3-dimethyl-2-oxo-butoxy)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-(3,3-dimethyl-2-oxobutoxy)-2-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-(3,3-dimethyl-2-oxobutoxy)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(2-keto-3,3-dimethyl-butoxy)-2-[[4-(4-methoxyphenyl)piperazino]methyl]pyran-4-one Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5/c1-23(2,3)22(27)16-30-21-15-29-19(13-20(21)26)14-24-9-11-25(12-10-24)17-5-7-18(28-4)8-6-17/h5-8,13,15H,9-12,14,16H2,1-4H3