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

Systemtic Name: 4-[(7-ethynyl-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 4-[(7-ethynyl-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 4-[(7-ethynyl-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 4-[(7-ethynyl-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 4-[(7-ethynyl-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C21H15N3O4 MolecularWeight: 373.3615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O4/c1-4-12-5-6-15(21-20(12)27-11-28-21)24-19-13(9-22)10-23-16-8-18(26-3)17(25-2)7-14(16)19/h1,5-8,10H,11H2,2-3H3,(H,23,24)