4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-6-methoxy-7-phenylmethoxy-quinoline-3-carbonitrile hydrochloride

Systemtic Name: 4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-6-methoxy-7-phenylmethoxy-quinoline-3-carbonitrile hydrochloride Openeye Name: 7-benzyloxy-4-(4-chloro-2-fluoro-anilino)-6-methoxy-quinoline-3-carbonitrile hydrochloride CAS Name: 4-(4-chloro-2-fluoroanilino)-6-methoxy-7-phenylmethoxy-3-quinolinecarbonitrile hydrochloride IUPAC Name: 4-(4-chloro-2-fluoroanilino)-6-methoxy-7-phenylmethoxyquinoline-3-carbonitrile hydrochloride Traditional Name: 7-benzoxy-4-(4-chloro-2-fluoro-anilino)-6-methoxy-quinoline-3-carbonitrile hydrochloride Formula: C24H18Cl2FN3O2 MolecularWeight: 470.323023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C(C=C(C=C3)Cl)F)OCC4=CC=CC=C4.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C(C=C(C=C3)Cl)F)OCC4=CC=CC=C4.Cl

InChI

InChI=1S/C24H17ClFN3O2.ClH/c1-30-22-10-18-21(11-23(22)31-14-15-5-3-2-4-6-15)28-13-16(12-27)24(18)29-20-8-7-17(25)9-19(20)26;/h2-11,13H,14H2,1H3,(H,28,29);1H