(2-azanylpyridin-3-yl)-[3-(1-fluoranylethenyl)-6-(3-pyridin-3-ylpiperazin-1-yl)pyridin-2-yl]methanone

Systemtic Name: (2-azanylpyridin-3-yl)-[3-(1-fluoranylethenyl)-6-(3-pyridin-3-ylpiperazin-1-yl)pyridin-2-yl]methanone Openeye Name: (2-amino-3-pyridyl)-[3-(1-fluorovinyl)-6-[3-(3-pyridyl)piperazin-1-yl]-2-pyridyl]methanone CAS Name: (2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(3-pyridinyl)-1-piperazinyl]-2-pyridinyl]methanone IUPAC Name: (2-aminopyridin-3-yl)-[3-(1-fluoroethenyl)-6-(3-pyridin-3-ylpiperazin-1-yl)pyridin-2-yl]methanone Traditional Name: (2-amino-3-pyridyl)-[3-(1-fluorovinyl)-6-[3-(3-pyridyl)piperazino]-2-pyridyl]methanone Formula: C22H21FN6O MolecularWeight: 404.440143

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(N=C(C=C1)N2CCNC(C2)C3=CN=CC=C3)C(=O)C4=C(N=CC=C4)N)F

Isomeric SMILES

C=C(C1=C(N=C(C=C1)N2CCNC(C2)C3=CN=CC=C3)C(=O)C4=C(N=CC=C4)N)F

InChI

InChI=1S/C22H21FN6O/c1-14(23)16-6-7-19(28-20(16)21(30)17-5-3-9-27-22(17)24)29-11-10-26-18(13-29)15-4-2-8-25-12-15/h2-9,12,18,26H,1,10-11,13H2,(H2,24,27)