2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-(pyridin-4-ylmethylamino)methylidene]propanedinitrile

Systemtic Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-(pyridin-4-ylmethylamino)methylidene]propanedinitrile Openeye Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-(4-pyridylmethylamino)methylene]propanedinitrile CAS Name: 2-[[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]-(pyridin-4-ylmethylamino)methylidene]propanedinitrile IUPAC Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-(pyridin-4-ylmethylamino)methylidene]propanedinitrile Traditional Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazino]-(4-pyridylmethylamino)methylene]malononitrile Formula: C24H24N8O2 MolecularWeight: 456.49976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=C(C#N)C#N)NCC4=CC=NC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=C(C#N)C#N)NCC4=CC=NC=C4)OC

InChI

InChI=1S/C24H24N8O2/c1-33-21-11-19-20(12-22(21)34-2)29-16-30-24(19)32-9-7-31(8-10-32)23(18(13-25)14-26)28-15-17-3-5-27-6-4-17/h3-6,11-12,16,28H,7-10,15H2,1-2H3