4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methyl-amino]-1-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methyl-amino]-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: 4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methyl-amino]-1-phenyl-cyclohexanecarbonitrile CAS Name: 4-[[4-[3-(dimethylamino)propylamino]-2-quinazolinyl]methyl-methylamino]-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methylamino]-1-phenylcyclohexane-1-carbonitrile Traditional Name: 4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl-methyl-amino]-1-phenyl-cyclohexanecarbonitrile Formula: C28H36N6 MolecularWeight: 456.62564

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN(C)C3CCC(CC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN(C)C3CCC(CC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C28H36N6/c1-33(2)19-9-18-30-27-24-12-7-8-13-25(24)31-26(32-27)20-34(3)23-14-16-28(21-29,17-15-23)22-10-5-4-6-11-22/h4-8,10-13,23H,9,14-20H2,1-3H3,(H,30,31,32)