4-(1,3-benzodioxol-5-ylamino)-6,7-diethoxy-quinoline-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-ylamino)-6,7-diethoxy-quinoline-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-ylamino)-6,7-diethoxy-quinoline-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-ylamino)-6,7-diethoxy-3-quinolinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-ylamino)-6,7-diethoxyquinoline-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-6,7-diethoxy-quinoline-3-carbonitrile Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC4=C(C=C3)OCO4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC4=C(C=C3)OCO4)OCC

InChI

InChI=1S/C21H19N3O4/c1-3-25-19-8-15-16(9-20(19)26-4-2)23-11-13(10-22)21(15)24-14-5-6-17-18(7-14)28-12-27-17/h5-9,11H,3-4,12H2,1-2H3,(H,23,24)