4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-6-methoxy-7-pyrrol-1-yl-quinoline-3-carbonitrile

Systemtic Name: 4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-6-methoxy-7-pyrrol-1-yl-quinoline-3-carbonitrile Openeye Name: 4-(2,4-dichloro-5-methoxy-anilino)-6-methoxy-7-pyrrol-1-yl-quinoline-3-carbonitrile CAS Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-(1-pyrrolyl)-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-pyrrol-1-ylquinoline-3-carbonitrile Traditional Name: 4-(2,4-dichloro-5-methoxy-anilino)-6-methoxy-7-pyrrol-1-yl-quinoline-3-carbonitrile Formula: C22H16Cl2N4O2 MolecularWeight: 439.29404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3Cl)Cl)OC)N4C=CC=C4

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3Cl)Cl)OC)N4C=CC=C4

InChI

InChI=1S/C22H16Cl2N4O2/c1-29-20-10-18(15(23)8-16(20)24)27-22-13(11-25)12-26-17-9-19(28-5-3-4-6-28)21(30-2)7-14(17)22/h3-10,12H,1-2H3,(H,26,27)