2-[[[3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]-methyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[[3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]-methyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[[3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]-methyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[[3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]-methyl-amino]methyl]-1H-quinazolin-4-one Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(CN(C)CC2=NC(=O)C3=CC=CC=C3N2)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(CN(C)CC2=NC(=O)C3=CC=CC=C3N2)O)C

InChI

InChI=1S/C21H25N3O3/c1-14-8-15(2)10-17(9-14)27-13-16(25)11-24(3)12-20-22-19-7-5-4-6-18(19)21(26)23-20/h4-10,16,25H,11-13H2,1-3H3,(H,22,23,26)