4-[[3-(5-bromanylpyrimidin-2-yl)oxyphenyl]methylidene]-N-pyridazin-3-yl-piperidine-1-carboxamide

Systemtic Name: 4-[[3-(5-bromanylpyrimidin-2-yl)oxyphenyl]methylidene]-N-pyridazin-3-yl-piperidine-1-carboxamide Openeye Name: 4-[[3-(5-bromopyrimidin-2-yl)oxyphenyl]methylene]-N-pyridazin-3-yl-piperidine-1-carboxamide CAS Name: 4-[[3-[(5-bromo-2-pyrimidinyl)oxy]phenyl]methylidene]-N-(3-pyridazinyl)-1-piperidinecarboxamide IUPAC Name: 4-[[3-(5-bromopyrimidin-2-yl)oxyphenyl]methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide Traditional Name: 4-[3-(5-bromopyrimidin-2-yl)oxybenzylidene]-N-pyridazin-3-yl-piperidine-1-carboxamide Formula: C21H19BrN6O2 MolecularWeight: 467.31856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=CC2=CC(=CC=C2)OC3=NC=C(C=N3)Br)C(=O)NC4=NN=CC=C4

Isomeric SMILES

C1CN(CCC1=CC2=CC(=CC=C2)OC3=NC=C(C=N3)Br)C(=O)NC4=NN=CC=C4

InChI

InChI=1S/C21H19BrN6O2/c22-17-13-23-20(24-14-17)30-18-4-1-3-16(12-18)11-15-6-9-28(10-7-15)21(29)26-19-5-2-8-25-27-19/h1-5,8,11-14H,6-7,9-10H2,(H,26,27,29)