(2S)-2-(4-methylphenoxy)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-(4-methylphenoxy)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: (2S)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one CAS Name: (2S)-2-(4-methylphenoxy)-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-(4-methylphenoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: (2S)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-2-(4-methylphenoxy)propan-1-one Formula: C22H30N4O2 MolecularWeight: 382.4992

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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)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)O[C@@H](C)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

InChI=1S/C22H30N4O2/c1-15(2)21-23-17(4)14-20(24-21)25-10-12-26(13-11-25)22(27)18(5)28-19-8-6-16(3)7-9-19/h6-9,14-15,18H,10-13H2,1-5H3/t18-/m0/s1