2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-(pyridin-3-ylmethylamino)methylidene]propanedinitrile

Systemtic Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-(pyridin-3-ylmethylamino)methylidene]propanedinitrile Openeye Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-(3-pyridylmethylamino)methylene]propanedinitrile CAS Name: 2-[[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]-(3-pyridinylmethylamino)methylidene]propanedinitrile IUPAC Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-(pyridin-3-ylmethylamino)methylidene]propanedinitrile Traditional Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazino]-(3-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=CN=CC=C4)OC

Isomeric SMILES

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

InChI

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