2-(4-chloranylphenoxy)-1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone CAS Name: 2-(4-chlorophenoxy)-1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone Traditional Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazino]-2-(4-chlorophenoxy)ethanone Formula: C26H29ClN4O2 MolecularWeight: 464.98706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C26H29ClN4O2/c1-3-24-23(17-20-7-5-4-6-8-20)26(29-19(2)28-24)31-15-13-30(14-16-31)25(32)18-33-22-11-9-21(27)10-12-22/h4-12H,3,13-18H2,1-2H3