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

Systemtic Name: 4-[(6-bromanyl-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 4-[(6-bromo-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 4-[(6-bromo-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 4-[(6-bromo-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 4-[(6-bromo-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C19H14BrN3O4 MolecularWeight: 428.23616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=CC4=C3OCO4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=CC4=C3OCO4)Br)OC

InChI

InChI=1S/C19H14BrN3O4/c1-24-15-5-12-13(6-16(15)25-2)22-8-10(7-21)18(12)23-14-3-11(20)4-17-19(14)27-9-26-17/h3-6,8H,9H2,1-2H3,(H,22,23)