[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone

Systemtic Name: [4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone Openeye Name: [4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone CAS Name: [4-[[4-[3-(dimethylamino)propylamino]-2-quinazolinyl]methyl]-1-piperazinyl]-(2-phenoxyphenyl)methanone IUPAC Name: [4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone Traditional Name: [4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazino]-(2-phenoxyphenyl)methanone Formula: C31H36N6O2 MolecularWeight: 524.65654

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(=O)C4=CC=CC=C4OC5=CC=CC=C5

Isomeric SMILES

CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(=O)C4=CC=CC=C4OC5=CC=CC=C5

InChI

InChI=1S/C31H36N6O2/c1-35(2)18-10-17-32-30-25-13-6-8-15-27(25)33-29(34-30)23-36-19-21-37(22-20-36)31(38)26-14-7-9-16-28(26)39-24-11-4-3-5-12-24/h3-9,11-16H,10,17-23H2,1-2H3,(H,32,33,34)