4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(pyridin-2-ylmethylamino)-1,7-naphthyridine-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(pyridin-2-ylmethylamino)-1,7-naphthyridine-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-6-(2-pyridylmethylamino)-1,7-naphthyridine-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-6-(2-pyridinylmethylamino)-1,7-naphthyridine-3-carbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-6-(pyridin-2-ylmethylamino)-1,7-naphthyridine-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-6-(2-pyridylmethylamino)-1,7-naphthyridine-3-carbonitrile Formula: C21H14ClFN6 MolecularWeight: 404.827463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC2=NC=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=NC(=C1)CNC2=NC=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H14ClFN6/c22-17-7-14(4-5-18(17)23)29-21-13(9-24)10-26-19-12-28-20(8-16(19)21)27-11-15-3-1-2-6-25-15/h1-8,10,12H,11H2,(H,26,29)(H,27,28)