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

Systemtic Name: 2-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)ethanamide Openeye Name: 2-[1-[(2-chloro-4-fluoro-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide CAS Name: 2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-2-piperazinyl]-N-(4-pyrimidinylmethyl)acetamide IUPAC Name: 2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide Traditional Name: 2-[1-(2-chloro-4-fluoro-benzyl)-3-keto-piperazin-2-yl]-N-(4-pyrimidylmethyl)acetamide Formula: C18H19ClFN5O2 MolecularWeight: 391.827163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)NCC2=NC=NC=C2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)NCC2=NC=NC=C2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H19ClFN5O2/c19-15-7-13(20)2-1-12(15)10-25-6-5-22-18(27)16(25)8-17(26)23-9-14-3-4-21-11-24-14/h1-4,7,11,16H,5-6,8-10H2,(H,22,27)(H,23,26)