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

Systemtic Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-[(4-methoxyphenyl)methylamino]methylidene]propanedinitrile Openeye Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-[(4-methoxyphenyl)methylamino]methylene]propanedinitrile CAS Name: 2-[[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]-[(4-methoxyphenyl)methylamino]methylidene]propanedinitrile IUPAC Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-[(4-methoxyphenyl)methylamino]methylidene]propanedinitrile Traditional Name: 2-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazino]-(p-anisylamino)methylene]malononitrile Formula: C26H27N7O3 MolecularWeight: 485.53768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=C(C#N)C#N)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=C(C#N)C#N)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C26H27N7O3/c1-34-20-6-4-18(5-7-20)16-29-25(19(14-27)15-28)32-8-10-33(11-9-32)26-21-12-23(35-2)24(36-3)13-22(21)30-17-31-26/h4-7,12-13,17,29H,8-11,16H2,1-3H3