4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-(1H-pyrrol-2-yl)quinoline-3-carbonitrile

Systemtic Name: 4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-(1H-pyrrol-2-yl)quinoline-3-carbonitrile Openeye Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-(1H-pyrrol-2-yl)quinoline-3-carbonitrile CAS Name: 4-(2,4-dichloro-5-methoxyanilino)-7-(1H-pyrrol-2-yl)-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-7-(1H-pyrrol-2-yl)quinoline-3-carbonitrile Traditional Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-(1H-pyrrol-2-yl)quinoline-3-carbonitrile Formula: C21H14Cl2N4O MolecularWeight: 409.26806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=CN4)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=CN4)Cl)Cl

InChI

InChI=1S/C21H14Cl2N4O/c1-28-20-9-19(15(22)8-16(20)23)27-21-13(10-24)11-26-18-7-12(4-5-14(18)21)17-3-2-6-25-17/h2-9,11,25H,1H3,(H,26,27)