N-(3-chloranyl-4-fluoranyl-phenyl)-4-[6-[(6-methylpyridin-2-yl)amino]pyridazin-3-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[6-[(6-methylpyridin-2-yl)amino]pyridazin-3-yl]piperazine-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[6-[(6-methyl-2-pyridyl)amino]pyridazin-3-yl]piperazine-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]-3-pyridazinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[6-[(6-methylpyridin-2-yl)amino]pyridazin-3-yl]piperazine-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[6-[(6-methyl-2-pyridyl)amino]pyridazin-3-yl]piperazine-1-carboxamide Formula: C21H21ClFN7O MolecularWeight: 441.889143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC2=NN=C(C=C2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=NC(=CC=C1)NC2=NN=C(C=C2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H21ClFN7O/c1-14-3-2-4-18(24-14)26-19-7-8-20(28-27-19)29-9-11-30(12-10-29)21(31)25-15-5-6-17(23)16(22)13-15/h2-8,13H,9-12H2,1H3,(H,25,31)(H,24,26,27)