4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloranyl-1-(phenylmethyl)quinolin-2-one

Systemtic Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloranyl-1-(phenylmethyl)quinolin-2-one Openeye Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]amino]-1-benzyl-6-chloro-quinolin-2-one CAS Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]amino]-6-chloro-1-(phenylmethyl)-2-quinolinone IUPAC Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-1-benzyl-6-chloroquinolin-2-one Traditional Name: 1-benzyl-6-chloro-4-[(1-piperonyl-4-piperidyl)amino]carbostyril Formula: C29H28ClN3O3 MolecularWeight: 502.00392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=CC(=O)N(C3=C2C=C(C=C3)Cl)CC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCC1NC2=CC(=O)N(C3=C2C=C(C=C3)Cl)CC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H28ClN3O3/c30-22-7-8-26-24(15-22)25(16-29(34)33(26)18-20-4-2-1-3-5-20)31-23-10-12-32(13-11-23)17-21-6-9-27-28(14-21)36-19-35-27/h1-9,14-16,23,31H,10-13,17-19H2