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

Systemtic Name: 4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile Openeye Name: 4-(2,4-dichloro-5-methoxy-anilino)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile CAS Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(1-piperazinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 4-(2,4-dichloro-5-methoxy-anilino)-6-methoxy-7-(3-piperazinopropoxy)quinoline-3-carbonitrile Formula: C25H27Cl2N5O3 MolecularWeight: 516.41958

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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)OCCCN4CCNCC4

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3Cl)Cl)OC)OCCCN4CCNCC4

InChI

InChI=1S/C25H27Cl2N5O3/c1-33-22-13-21(18(26)11-19(22)27)31-25-16(14-28)15-30-20-12-24(23(34-2)10-17(20)25)35-9-3-6-32-7-4-29-5-8-32/h10-13,15,29H,3-9H2,1-2H3,(H,30,31)