4-[(3-chloranyl-4-methyl-phenyl)amino]-6-fluoranyl-quinoline-3-carbonitrile hydrochloride

Systemtic Name: 4-[(3-chloranyl-4-methyl-phenyl)amino]-6-fluoranyl-quinoline-3-carbonitrile hydrochloride Openeye Name: 4-(3-chloro-4-methyl-anilino)-6-fluoro-quinoline-3-carbonitrile hydrochloride CAS Name: 4-(3-chloro-4-methylanilino)-6-fluoro-3-quinolinecarbonitrile hydrochloride IUPAC Name: 4-(3-chloro-4-methylanilino)-6-fluoroquinoline-3-carbonitrile hydrochloride Traditional Name: 4-(3-chloro-4-methyl-anilino)-6-fluoro-quinoline-3-carbonitrile hydrochloride Formula: C17H12Cl2FN3 MolecularWeight: 348.201683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C3C=C(C=CC3=NC=C2C#N)F)Cl.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C3C=C(C=CC3=NC=C2C#N)F)Cl.Cl

InChI

InChI=1S/C17H11ClFN3.ClH/c1-10-2-4-13(7-15(10)18)22-17-11(8-20)9-21-16-5-3-12(19)6-14(16)17;/h2-7,9H,1H3,(H,21,22);1H