4-[[7-(5-chloranylpent-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile

Systemtic Name: 4-[[7-(5-chloranylpent-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 4-[[7-(5-chloropent-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 4-[[7-(5-chloropent-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 4-[[7-(5-chloropent-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 4-[[7-(5-chloropent-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C24H20ClN3O4 MolecularWeight: 449.8863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=C(C=C3)C#CCCCCl)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=C(C=C3)C#CCCCCl)OCO4)OC

InChI

InChI=1S/C24H20ClN3O4/c1-29-20-10-17-19(11-21(20)30-2)27-13-16(12-26)22(17)28-18-8-7-15(6-4-3-5-9-25)23-24(18)32-14-31-23/h7-8,10-11,13H,3,5,9,14H2,1-2H3,(H,27,28)