4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-7-phenylmethoxy-quinoline-2-carbonitrile hydrochloride

Systemtic Name: 4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-7-phenylmethoxy-quinoline-2-carbonitrile hydrochloride Openeye Name: 7-benzyloxy-4-(4-chloro-2-fluoro-anilino)quinoline-2-carbonitrile hydrochloride CAS Name: 4-(4-chloro-2-fluoroanilino)-7-phenylmethoxy-2-quinolinecarbonitrile hydrochloride IUPAC Name: 4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-2-carbonitrile hydrochloride Traditional Name: 7-benzoxy-4-(4-chloro-2-fluoro-anilino)quinaldonitrile hydrochloride Formula: C23H16Cl2FN3O MolecularWeight: 440.297043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=NC(=CC(=C3C=C2)NC4=C(C=C(C=C4)Cl)F)C#N.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=NC(=CC(=C3C=C2)NC4=C(C=C(C=C4)Cl)F)C#N.Cl

InChI

InChI=1S/C23H15ClFN3O.ClH/c24-16-6-9-21(20(25)10-16)28-22-11-17(13-26)27-23-12-18(7-8-19(22)23)29-14-15-4-2-1-3-5-15;/h1-12H,14H2,(H,27,28);1H