5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one

Systemtic Name: 5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one Openeye Name: 5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one CAS Name: 5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-pentanone IUPAC Name: 5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one Traditional Name: 5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-[4-(2-pyrimidyl)piperazino]pentan-1-one Formula: C23H32N4O2 MolecularWeight: 396.52578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C23H32N4O2/c1-18-7-8-19(2)20(17-18)29-16-5-9-23(3,4)21(28)26-12-14-27(15-13-26)22-24-10-6-11-25-22/h6-8,10-11,17H,5,9,12-16H2,1-4H3