4-[4-[2,4-bis(fluoranyl)phenyl]pyrimidin-2-yl]-N-pyridazin-3-yl-piperazine-1-carboxamide

Systemtic Name: 4-[4-[2,4-bis(fluoranyl)phenyl]pyrimidin-2-yl]-N-pyridazin-3-yl-piperazine-1-carboxamide Openeye Name: 4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-yl-piperazine-1-carboxamide CAS Name: 4-[4-(2,4-difluorophenyl)-2-pyrimidinyl]-N-(3-pyridazinyl)-1-piperazinecarboxamide IUPAC Name: 4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide Traditional Name: 4-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-N-pyridazin-3-yl-piperazine-1-carboxamide Formula: C19H17F2N7O MolecularWeight: 397.381386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=N2)C3=C(C=C(C=C3)F)F)C(=O)NC4=NN=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=N2)C3=C(C=C(C=C3)F)F)C(=O)NC4=NN=CC=C4

InChI

InChI=1S/C19H17F2N7O/c20-13-3-4-14(15(21)12-13)16-5-7-22-18(24-16)27-8-10-28(11-9-27)19(29)25-17-2-1-6-23-26-17/h1-7,12H,8-11H2,(H,25,26,29)