6-(4-fluorophenyl)-3-[(1-pentan-3-ylpiperidin-3-yl)methyl]-2-propan-2-yl-quinazolin-4-one

Systemtic Name: 6-(4-fluorophenyl)-3-[(1-pentan-3-ylpiperidin-3-yl)methyl]-2-propan-2-yl-quinazolin-4-one Openeye Name: 3-[[1-(1-ethylpropyl)-3-piperidyl]methyl]-6-(4-fluorophenyl)-2-isopropyl-quinazolin-4-one CAS Name: 6-(4-fluorophenyl)-3-[(1-pentan-3-yl-3-piperidinyl)methyl]-2-propan-2-yl-4-quinazolinone IUPAC Name: 6-(4-fluorophenyl)-3-[(1-pentan-3-ylpiperidin-3-yl)methyl]-2-propan-2-ylquinazolin-4-one Traditional Name: 3-[[1-(1-ethylpropyl)-3-piperidyl]methyl]-6-(4-fluorophenyl)-2-isopropyl-quinazolin-4-one Formula: C28H36FN3O MolecularWeight: 449.603343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCCC(C1)CN2C(=O)C3=C(C=CC(=C3)C4=CC=C(C=C4)F)N=C2C(C)C

Isomeric SMILES

CCC(CC)N1CCCC(C1)CN2C(=O)C3=C(C=CC(=C3)C4=CC=C(C=C4)F)N=C2C(C)C

InChI

InChI=1S/C28H36FN3O/c1-5-24(6-2)31-15-7-8-20(17-31)18-32-27(19(3)4)30-26-14-11-22(16-25(26)28(32)33)21-9-12-23(29)13-10-21/h9-14,16,19-20,24H,5-8,15,17-18H2,1-4H3