2-(2-tert-butyl-4-methyl-phenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(2-tert-butyl-4-methyl-phenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(2-tert-butyl-4-methyl-phenoxy)-1-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 2-(2-tert-butyl-4-methylphenoxy)-1-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(2-tert-butyl-4-methylphenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(2-tert-butyl-4-methyl-phenoxy)-1-[4-(6-piperidinopyrimidin-4-yl)piperazino]propan-1-one Formula: C27H39N5O2 MolecularWeight: 465.63086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(C)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)C(C)(C)C

InChI

InChI=1S/C27H39N5O2/c1-20-9-10-23(22(17-20)27(3,4)5)34-21(2)26(33)32-15-13-31(14-16-32)25-18-24(28-19-29-25)30-11-7-6-8-12-30/h9-10,17-19,21H,6-8,11-16H2,1-5H3