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

Systemtic Name: 2-(2-methoxy-4-methyl-phenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(2-methoxy-4-methyl-phenoxy)-1-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 2-(2-methoxy-4-methylphenoxy)-1-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(2-methoxy-4-methylphenoxy)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(2-methoxy-4-methyl-phenoxy)-1-[4-(6-piperidinopyrimidin-4-yl)piperazino]propan-1-one Formula: C24H33N5O3 MolecularWeight: 439.55052

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O3/c1-18-7-8-20(21(15-18)31-3)32-19(2)24(30)29-13-11-28(12-14-29)23-16-22(25-17-26-23)27-9-5-4-6-10-27/h7-8,15-17,19H,4-6,9-14H2,1-3H3