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

Systemtic Name: 2-[[4-[3-(3-methylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[2-hydroxy-3-(3-methylphenoxy)propyl]piperazino]methyl]-1H-quinazolin-4-one Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3/c1-17-5-4-6-19(13-17)30-16-18(28)14-26-9-11-27(12-10-26)15-22-24-21-8-3-2-7-20(21)23(29)25-22/h2-8,13,18,28H,9-12,14-16H2,1H3,(H,24,25,29)