2-methyl-3-[3-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]quinazolin-4-one

Systemtic Name: 2-methyl-3-[3-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]quinazolin-4-one Openeye Name: 3-[3-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-2-methyl-quinazolin-4-one CAS Name: 3-[3-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-2-methyl-4-quinazolinone IUPAC Name: 3-[3-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one Traditional Name: 3-[3-[2-hydroxy-3-(4-phenylpiperazino)propoxy]phenyl]-2-methyl-quinazolin-4-one Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OCC(CN4CCN(CC4)C5=CC=CC=C5)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OCC(CN4CCN(CC4)C5=CC=CC=C5)O

InChI

InChI=1S/C28H30N4O3/c1-21-29-27-13-6-5-12-26(27)28(34)32(21)23-10-7-11-25(18-23)35-20-24(33)19-30-14-16-31(17-15-30)22-8-3-2-4-9-22/h2-13,18,24,33H,14-17,19-20H2,1H3