N-(4-cyanophenyl)-4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazine-1-carboxamide

Systemtic Name: N-(4-cyanophenyl)-4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazine-1-carboxamide Openeye Name: N-(4-cyanophenyl)-4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazine-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-[[4-[3-(dimethylamino)propylamino]-2-quinazolinyl]methyl]-1-piperazinecarboxamide IUPAC Name: N-(4-cyanophenyl)-4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazine-1-carboxamide Traditional Name: N-(4-cyanophenyl)-4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazine-1-carboxamide Formula: C26H32N8O MolecularWeight: 472.58528

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H32N8O/c1-32(2)13-5-12-28-25-22-6-3-4-7-23(22)30-24(31-25)19-33-14-16-34(17-15-33)26(35)29-21-10-8-20(18-27)9-11-21/h3-4,6-11H,5,12-17,19H2,1-2H3,(H,29,35)(H,28,30,31)