1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(4-chloranyl-2-methyl-phenoxy)propan-1-one

Systemtic Name: 1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-(4-chloranyl-2-methyl-phenoxy)propan-1-one Openeye Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(4-chloro-2-methyl-phenoxy)propan-1-one CAS Name: 1-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-2-(4-chloro-2-methylphenoxy)-1-propanone IUPAC Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)propan-1-one Traditional Name: 1-[4-(5-bromopyrimidin-2-yl)piperazino]-2-(4-chloro-2-methyl-phenoxy)propan-1-one Formula: C18H20BrClN4O2 MolecularWeight: 439.734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

InChI

InChI=1S/C18H20BrClN4O2/c1-12-9-15(20)3-4-16(12)26-13(2)17(25)23-5-7-24(8-6-23)18-21-10-14(19)11-22-18/h3-4,9-11,13H,5-8H2,1-2H3