2-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)ethanamide

Systemtic Name: 2-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)ethanamide Openeye Name: 2-[1-[(2-chloro-6-fluoro-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)acetamide CAS Name: 2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-2-piperazinyl]-N-methyl-N-(4-pyrimidinylmethyl)acetamide IUPAC Name: 2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)acetamide Traditional Name: 2-[1-(2-chloro-6-fluoro-benzyl)-3-keto-piperazin-2-yl]-N-methyl-N-(4-pyrimidylmethyl)acetamide Formula: C19H21ClFN5O2 MolecularWeight: 405.853743

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC=NC=C1)C(=O)CC2C(=O)NCCN2CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN(CC1=NC=NC=C1)C(=O)CC2C(=O)NCCN2CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H21ClFN5O2/c1-25(10-13-5-6-22-12-24-13)18(27)9-17-19(28)23-7-8-26(17)11-14-15(20)3-2-4-16(14)21/h2-6,12,17H,7-11H2,1H3,(H,23,28)