4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6,7-diethoxy-quinoline-3-carbonitrile

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6,7-diethoxy-quinoline-3-carbonitrile Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6,7-diethoxy-quinoline-3-carbonitrile CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6,7-diethoxy-3-quinolinecarbonitrile IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6,7-diethoxyquinoline-3-carbonitrile Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6,7-diethoxy-quinoline-3-carbonitrile Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC4=C(C=C3)OCCO4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC4=C(C=C3)OCCO4)OCC

InChI

InChI=1S/C22H21N3O4/c1-3-26-20-10-16-17(11-21(20)27-4-2)24-13-14(12-23)22(16)25-15-5-6-18-19(9-15)29-8-7-28-18/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,24,25)