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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(cyclopentylamino)-1,7-naphthyridine-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-6-(cyclopentylamino)-1,7-naphthyridine-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-6-(cyclopentylamino)-1,7-naphthyridine-3-carbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-6-(cyclopentylamino)-1,7-naphthyridine-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-6-(cyclopentylamino)-1,7-naphthyridine-3-carbonitrile Formula: C20H17ClFN5 MolecularWeight: 381.833883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCC(C1)NC2=NC=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H17ClFN5/c21-16-7-14(5-6-17(16)22)27-20-12(9-23)10-24-18-11-25-19(8-15(18)20)26-13-3-1-2-4-13/h5-8,10-11,13H,1-4H2,(H,24,27)(H,25,26)