2-[[4-[2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[2-oxidanyl-3-(2,3,6-trimethylphenoxy)propyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]piperazino]methyl]-1H-quinazolin-4-one Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(CN2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC(CN2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3)O)C

InChI

InChI=1S/C25H32N4O3/c1-17-8-9-18(2)24(19(17)3)32-16-20(30)14-28-10-12-29(13-11-28)15-23-26-22-7-5-4-6-21(22)25(31)27-23/h4-9,20,30H,10-16H2,1-3H3,(H,26,27,31)