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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCC(C1)CN2C=NC3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)N1CCC[C@@H](C1)CN2C=NC3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H26ClN3O2/c1-16(2)26-11-3-4-17(13-26)14-27-15-25-22-10-9-20(12-21(22)23(27)28)29-19-7-5-18(24)6-8-19/h5-10,12,15-17H,3-4,11,13-14H2,1-2H3/t17-/m0/s1