2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C18H21ClFN5O MolecularWeight: 377.843643

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H21ClFN5O/c1-23(12-14-15(19)4-2-5-16(14)20)13-17(26)24-8-10-25(11-9-24)18-21-6-3-7-22-18/h2-7H,8-13H2,1H3