3-methyl-1-[3-methyl-2-oxidanyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]phenyl]butan-1-one

Systemtic Name: 3-methyl-1-[3-methyl-2-oxidanyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]phenyl]butan-1-one Openeye Name: 1-[2-hydroxy-3-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[2-hydroxy-3-methyl-4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[2-hydroxy-3-methyl-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]phenyl]-3-methylbutan-1-one Traditional Name: 1-[2-hydroxy-3-methyl-4-[4-[4-(2-pyrimidyl)piperazino]butoxy]phenyl]-3-methyl-butan-1-one Formula: C24H34N4O3 MolecularWeight: 426.55176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C24H34N4O3/c1-18(2)17-21(29)20-7-8-22(19(3)23(20)30)31-16-5-4-11-27-12-14-28(15-13-27)24-25-9-6-10-26-24/h6-10,18,30H,4-5,11-17H2,1-3H3