4-(1,3-benzodioxol-4-ylamino)-7-(3-bromanylpropoxy)-6-methoxy-quinoline-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-4-ylamino)-7-(3-bromanylpropoxy)-6-methoxy-quinoline-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-4-ylamino)-7-(3-bromopropoxy)-6-methoxy-quinoline-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-4-ylamino)-7-(3-bromopropoxy)-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-4-ylamino)-7-(3-bromopropoxy)-6-methoxyquinoline-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-4-ylamino)-7-(3-bromopropoxy)-6-methoxy-quinoline-3-carbonitrile Formula: C21H18BrN3O4 MolecularWeight: 456.28932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=CC=C3)OCO4)OCCCBr

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=CC=C3)OCO4)OCCCBr

InChI

InChI=1S/C21H18BrN3O4/c1-26-18-8-14-16(9-19(18)27-7-3-6-22)24-11-13(10-23)20(14)25-15-4-2-5-17-21(15)29-12-28-17/h2,4-5,8-9,11H,3,6-7,12H2,1H3,(H,24,25)