2-cyclopentyl-1-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]-2-phenyl-ethanone

Systemtic Name: 2-cyclopentyl-1-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 2-cyclopentyl-1-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]-2-phenyl-ethanone CAS Name: 2-cyclopentyl-1-[4-[[4-[3-(dimethylamino)propylamino]-2-quinazolinyl]methyl]-1-piperazinyl]-2-phenylethanone IUPAC Name: 2-cyclopentyl-1-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone Traditional Name: 2-cyclopentyl-1-[4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazino]-2-phenyl-ethanone Formula: C31H42N6O MolecularWeight: 514.70478

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(=O)C(C4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(=O)C(C4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C31H42N6O/c1-35(2)18-10-17-32-30-26-15-8-9-16-27(26)33-28(34-30)23-36-19-21-37(22-20-36)31(38)29(25-13-6-7-14-25)24-11-4-3-5-12-24/h3-5,8-9,11-12,15-16,25,29H,6-7,10,13-14,17-23H2,1-2H3,(H,32,33,34)