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

Systemtic Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloranyl-1-(pyridin-4-ylmethyl)quinolin-2-one Openeye Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]amino]-6-chloro-1-(4-pyridylmethyl)quinolin-2-one CAS Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]amino]-6-chloro-1-(pyridin-4-ylmethyl)-2-quinolinone IUPAC Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloro-1-(pyridin-4-ylmethyl)quinolin-2-one Traditional Name: 6-chloro-4-[(1-piperonyl-4-piperidyl)amino]-1-(4-pyridylmethyl)carbostyril Formula: C28H27ClN4O3 MolecularWeight: 502.99198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN4O3/c29-21-2-3-25-23(14-21)24(15-28(34)33(25)17-19-5-9-30-10-6-19)31-22-7-11-32(12-8-22)16-20-1-4-26-27(13-20)36-18-35-26/h1-6,9-10,13-15,22,31H,7-8,11-12,16-18H2