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

Systemtic Name: 2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)ethanamide Openeye Name: 2-[1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide CAS Name: 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazinyl]-N-(4-pyrimidinylmethyl)acetamide IUPAC Name: 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide Traditional Name: 2-[1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-2-yl]-N-(4-pyrimidylmethyl)acetamide Formula: C19H22FN5O3 MolecularWeight: 387.408083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCNC(=O)C2CC(=O)NCC3=NC=NC=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCNC(=O)C2CC(=O)NCC3=NC=NC=C3)F

InChI

InChI=1S/C19H22FN5O3/c1-28-15-3-2-13(16(20)8-15)11-25-7-6-22-19(27)17(25)9-18(26)23-10-14-4-5-21-12-24-14/h2-5,8,12,17H,6-7,9-11H2,1H3,(H,22,27)(H,23,26)