6-(4-fluoranyl-2-methyl-phenoxy)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-2-propyl-quinazolin-4-one

Systemtic Name: 6-(4-fluoranyl-2-methyl-phenoxy)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-2-propyl-quinazolin-4-one Openeye Name: 6-(4-fluoro-2-methyl-phenoxy)-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]-2-propyl-quinazolin-4-one CAS Name: 6-(4-fluoro-2-methylphenoxy)-3-[[(3S)-1-propan-2-yl-3-piperidinyl]methyl]-2-propyl-4-quinazolinone IUPAC Name: 6-(4-fluoro-2-methylphenoxy)-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-2-propylquinazolin-4-one Traditional Name: 6-(4-fluoro-2-methyl-phenoxy)-3-[[(3S)-1-isopropyl-3-piperidyl]methyl]-2-propyl-quinazolin-4-one Formula: C27H34FN3O2 MolecularWeight: 451.576163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2)OC3=C(C=C(C=C3)F)C)C(=O)N1CC4CCCN(C4)C(C)C

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2)OC3=C(C=C(C=C3)F)C)C(=O)N1C[C@H]4CCCN(C4)C(C)C

InChI

InChI=1S/C27H34FN3O2/c1-5-7-26-29-24-11-10-22(33-25-12-9-21(28)14-19(25)4)15-23(24)27(32)31(26)17-20-8-6-13-30(16-20)18(2)3/h9-12,14-15,18,20H,5-8,13,16-17H2,1-4H3/t20-/m0/s1