2-(3,5-dimethylphenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(3,5-dimethylphenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(3,5-dimethylphenoxy)-1-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 2-(3,5-dimethylphenoxy)-1-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(3,5-dimethylphenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(3,5-dimethylphenoxy)-1-[4-(6-piperidinopyrimidin-4-yl)piperazino]propan-1-one Formula: C24H33N5O2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O2/c1-18-13-19(2)15-21(14-18)31-20(3)24(30)29-11-9-28(10-12-29)23-16-22(25-17-26-23)27-7-5-4-6-8-27/h13-17,20H,4-12H2,1-3H3