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

Systemtic Name: 4-[(3-chloranyl-4-phenoxy-phenyl)amino]-6-methoxy-7-pyrrol-1-yl-quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenoxy-anilino)-6-methoxy-7-pyrrol-1-yl-quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-phenoxyanilino)-6-methoxy-7-(1-pyrrolyl)-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenoxyanilino)-6-methoxy-7-pyrrol-1-ylquinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-phenoxy-anilino)-6-methoxy-7-pyrrol-1-yl-quinoline-3-carbonitrile Formula: C27H19ClN4O2 MolecularWeight: 466.91836

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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=C3)OC4=CC=CC=C4)Cl)N5C=CC=C5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3)OC4=CC=CC=C4)Cl)N5C=CC=C5

InChI

InChI=1S/C27H19ClN4O2/c1-33-26-14-21-23(15-24(26)32-11-5-6-12-32)30-17-18(16-29)27(21)31-19-9-10-25(22(28)13-19)34-20-7-3-2-4-8-20/h2-15,17H,1H3,(H,30,31)