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

Systemtic Name: 6-(2-chloranyl-4-fluoranyl-phenoxy)-3-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-propan-2-yl-quinazolin-4-one Openeye Name: 6-(2-chloro-4-fluoro-phenoxy)-3-[[(3S)-1-ethyl-3-piperidyl]methyl]-2-isopropyl-quinazolin-4-one CAS Name: 6-(2-chloro-4-fluorophenoxy)-3-[[(3S)-1-ethyl-3-piperidinyl]methyl]-2-propan-2-yl-4-quinazolinone IUPAC Name: 6-(2-chloro-4-fluorophenoxy)-3-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-propan-2-ylquinazolin-4-one Traditional Name: 6-(2-chloro-4-fluoro-phenoxy)-3-[[(3S)-1-ethyl-3-piperidyl]methyl]-2-isopropyl-quinazolin-4-one Formula: C25H29ClFN3O2 MolecularWeight: 457.968063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)CN2C(=O)C3=C(C=CC(=C3)OC4=C(C=C(C=C4)F)Cl)N=C2C(C)C

Isomeric SMILES

CCN1CCC[C@@H](C1)CN2C(=O)C3=C(C=CC(=C3)OC4=C(C=C(C=C4)F)Cl)N=C2C(C)C

InChI

InChI=1S/C25H29ClFN3O2/c1-4-29-11-5-6-17(14-29)15-30-24(16(2)3)28-22-9-8-19(13-20(22)25(30)31)32-23-10-7-18(27)12-21(23)26/h7-10,12-13,16-17H,4-6,11,14-15H2,1-3H3/t17-/m0/s1