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

Systemtic Name: 2-(2-chloranylphenoxy)-1-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one Openeye Name: 2-(2-chlorophenoxy)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one CAS Name: 2-(2-chlorophenoxy)-1-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(2-chlorophenoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one Traditional Name: 2-(2-chlorophenoxy)-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]propan-1-one Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C(C)OC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C(C)OC3=CC=CC=C3Cl

InChI

InChI=1S/C21H27ClN4O2/c1-14(2)20-23-15(3)13-19(24-20)25-9-11-26(12-10-25)21(27)16(4)28-18-8-6-5-7-17(18)22/h5-8,13-14,16H,9-12H2,1-4H3