4-(isoquinolin-5-ylamino)-6,7-dimethoxy-quinoline-3-carbonitrile

Systemtic Name: 4-(isoquinolin-5-ylamino)-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 4-(5-isoquinolylamino)-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 4-(5-isoquinolinylamino)-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 4-(isoquinolin-5-ylamino)-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 4-(5-isoquinolylamino)-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=CC4=C3C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=CC4=C3C=CN=C4)OC

InChI

InChI=1S/C21H16N4O2/c1-26-19-8-16-18(9-20(19)27-2)24-12-14(10-22)21(16)25-17-5-3-4-13-11-23-7-6-15(13)17/h3-9,11-12H,1-2H3,(H,24,25)