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

Systemtic Name: 4-[[5-chloranyl-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 4-[[5-chloro-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 4-[[5-chloro-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 4-[[5-chloro-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 4-[[5-chloro-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C23H18ClN3O5 MolecularWeight: 451.85912

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CC1=CC(=C(C2=C1OCO2)NC3=C(C=NC4=CC(=C(C=C43)OC)OC)C#N)Cl

Isomeric SMILES

COCC#CC1=CC(=C(C2=C1OCO2)NC3=C(C=NC4=CC(=C(C=C43)OC)OC)C#N)Cl

InChI

InChI=1S/C23H18ClN3O5/c1-28-6-4-5-13-7-16(24)21(23-22(13)31-12-32-23)27-20-14(10-25)11-26-17-9-19(30-3)18(29-2)8-15(17)20/h7-9,11H,6,12H2,1-3H3,(H,26,27)