N-(3-fluoranyl-4-methyl-phenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-[6-(4-pyridylamino)pyridazin-3-yl]piperazine-1-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-[6-(pyridin-4-ylamino)-3-pyridazinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-[6-(4-pyridylamino)pyridazin-3-yl]piperazine-1-carboxamide Formula: C21H22FN7O MolecularWeight: 407.444083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=NN=C(C=C3)NC4=CC=NC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=NN=C(C=C3)NC4=CC=NC=C4)F

InChI

InChI=1S/C21H22FN7O/c1-15-2-3-17(14-18(15)22)25-21(30)29-12-10-28(11-13-29)20-5-4-19(26-27-20)24-16-6-8-23-9-7-16/h2-9,14H,10-13H2,1H3,(H,25,30)(H,23,24,26)