2-[(1,3-benzodioxol-5-ylmethylamino)-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidene]propanedinitrile

Systemtic Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidene]propanedinitrile Openeye Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylene]propanedinitrile CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]methylidene]propanedinitrile IUPAC Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methylidene]propanedinitrile Traditional Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazino]-(piperonylamino)methylene]malononitrile Formula: C26H25N7O4 MolecularWeight: 499.5212

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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=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=C(C#N)C#N)NCC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C26H25N7O4/c1-34-22-10-19-20(11-23(22)35-2)30-15-31-26(19)33-7-5-32(6-8-33)25(18(12-27)13-28)29-14-17-3-4-21-24(9-17)37-16-36-21/h3-4,9-11,15,29H,5-8,14,16H2,1-2H3