4-[(7-bromanyl-1,3-benzodioxol-4-yl)amino]-7-(3-chloranylpropoxy)-6-methoxy-quinoline-3-carbonitrile

Systemtic Name: 4-[(7-bromanyl-1,3-benzodioxol-4-yl)amino]-7-(3-chloranylpropoxy)-6-methoxy-quinoline-3-carbonitrile Openeye Name: 4-[(7-bromo-1,3-benzodioxol-4-yl)amino]-7-(3-chloropropoxy)-6-methoxy-quinoline-3-carbonitrile CAS Name: 4-[(7-bromo-1,3-benzodioxol-4-yl)amino]-7-(3-chloropropoxy)-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 4-[(7-bromo-1,3-benzodioxol-4-yl)amino]-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile Traditional Name: 4-[(7-bromo-1,3-benzodioxol-4-yl)amino]-7-(3-chloropropoxy)-6-methoxy-quinoline-3-carbonitrile Formula: C21H17BrClN3O4 MolecularWeight: 490.73438

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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)Br)OCO4)OCCCCl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=C(C=C3)Br)OCO4)OCCCCl

InChI

InChI=1S/C21H17BrClN3O4/c1-27-17-7-13-16(8-18(17)28-6-2-5-23)25-10-12(9-24)19(13)26-15-4-3-14(22)20-21(15)30-11-29-20/h3-4,7-8,10H,2,5-6,11H2,1H3,(H,25,26)