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

Systemtic Name: 2-chloranyl-1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]-2-chloro-2-phenyl-ethanone CAS Name: 2-chloro-1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-chloro-2-phenylethanone Traditional Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazino]-2-chloro-2-phenyl-ethanone Formula: C26H29ClN4O MolecularWeight: 448.98766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN4O/c1-3-23-22(18-20-10-6-4-7-11-20)25(29-19(2)28-23)30-14-16-31(17-15-30)26(32)24(27)21-12-8-5-9-13-21/h4-13,24H,3,14-18H2,1-2H3