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

Systemtic Name: 4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-[5-(piperidin-1-ylmethyl)furan-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-[5-(1-piperidylmethyl)-2-furyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dichloro-5-methoxyanilino)-7-[5-(1-piperidinylmethyl)-2-furanyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-7-[5-(piperidin-1-ylmethyl)furan-2-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-[5-(piperidinomethyl)-2-furyl]quinoline-3-carbonitrile Formula: C27H24Cl2N4O2 MolecularWeight: 507.41106

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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=C(O4)CN5CCCCC5)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)NC2=C3C=CC(=CC3=NC=C2C#N)C4=CC=C(O4)CN5CCCCC5)Cl)Cl

InChI

InChI=1S/C27H24Cl2N4O2/c1-34-26-13-24(21(28)12-22(26)29)32-27-18(14-30)15-31-23-11-17(5-7-20(23)27)25-8-6-19(35-25)16-33-9-3-2-4-10-33/h5-8,11-13,15H,2-4,9-10,16H2,1H3,(H,31,32)