6-(4-chloranylphenoxy)-3-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyl-quinazolin-4-one

Systemtic Name: 6-(4-chloranylphenoxy)-3-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methyl-quinazolin-4-one Openeye Name: 6-(4-chlorophenoxy)-3-[[(3S)-1-ethyl-3-piperidyl]methyl]-2-methyl-quinazolin-4-one CAS Name: 6-(4-chlorophenoxy)-3-[[(3S)-1-ethyl-3-piperidinyl]methyl]-2-methyl-4-quinazolinone IUPAC Name: 6-(4-chlorophenoxy)-3-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-methylquinazolin-4-one Traditional Name: 6-(4-chlorophenoxy)-3-[[(3S)-1-ethyl-3-piperidyl]methyl]-2-methyl-quinazolin-4-one Formula: C23H26ClN3O2 MolecularWeight: 411.92444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)CN2C(=NC3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCN1CCC[C@@H](C1)CN2C(=NC3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C23H26ClN3O2/c1-3-26-12-4-5-17(14-26)15-27-16(2)25-22-11-10-20(13-21(22)23(27)28)29-19-8-6-18(24)7-9-19/h6-11,13,17H,3-5,12,14-15H2,1-2H3/t17-/m0/s1