4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-6-pyrrol-1-yl-quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-6-pyrrol-1-yl-quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-7-methoxy-6-pyrrol-1-yl-quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-7-methoxy-6-(1-pyrrolyl)-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-7-methoxy-6-pyrrol-1-ylquinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-7-methoxy-6-pyrrol-1-yl-quinoline-3-carbonitrile Formula: C21H14ClFN4O MolecularWeight: 392.813463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)N4C=CC=C4

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)N4C=CC=C4

InChI

InChI=1S/C21H14ClFN4O/c1-28-20-10-18-15(9-19(20)27-6-2-3-7-27)21(13(11-24)12-25-18)26-14-4-5-17(23)16(22)8-14/h2-10,12H,1H3,(H,25,26)