4-[[3-chloranyl-4-(furan-3-ylmethyl)phenyl]amino]-7-(4-methanoylphenyl)quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(furan-3-ylmethyl)phenyl]amino]-7-(4-methanoylphenyl)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(3-furylmethyl)anilino]-7-(4-formylphenyl)quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(3-furanylmethyl)anilino]-7-(4-formylphenyl)-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(furan-3-ylmethyl)anilino]-7-(4-formylphenyl)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(3-furfuryl)anilino]-7-(4-formylphenyl)quinoline-3-carbonitrile Formula: C28H18ClN3O2 MolecularWeight: 463.91442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)C2=CC3=NC=C(C(=C3C=C2)NC4=CC(=C(C=C4)CC5=COC=C5)Cl)C#N

Isomeric SMILES

C1=CC(=CC=C1C=O)C2=CC3=NC=C(C(=C3C=C2)NC4=CC(=C(C=C4)CC5=COC=C5)Cl)C#N

InChI

InChI=1S/C28H18ClN3O2/c29-26-13-24(7-5-22(26)11-19-9-10-34-17-19)32-28-23(14-30)15-31-27-12-21(6-8-25(27)28)20-3-1-18(16-33)2-4-20/h1-10,12-13,15-17H,11H2,(H,31,32)