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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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