4-[[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]amino]-1,6-diethyl-quinolin-2-one

Systemtic Name: 4-[[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]amino]-1,6-diethyl-quinolin-2-one Openeye Name: 4-[[1-[1-(1,3-benzodioxol-5-yl)ethyl]-4-piperidyl]amino]-1,6-diethyl-quinolin-2-one CAS Name: 4-[[1-[1-(1,3-benzodioxol-5-yl)ethyl]-4-piperidinyl]amino]-1,6-diethyl-2-quinolinone IUPAC Name: 4-[[1-[1-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-yl]amino]-1,6-diethylquinolin-2-one Traditional Name: 4-[[1-[1-(1,3-benzodioxol-5-yl)ethyl]-4-piperidyl]amino]-1,6-diethyl-carbostyril Formula: C27H33N3O3 MolecularWeight: 447.56922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=O)C=C2NC3CCN(CC3)C(C)C4=CC5=C(C=C4)OCO5)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=O)C=C2NC3CCN(CC3)C(C)C4=CC5=C(C=C4)OCO5)CC

InChI

InChI=1S/C27H33N3O3/c1-4-19-6-8-24-22(14-19)23(16-27(31)30(24)5-2)28-21-10-12-29(13-11-21)18(3)20-7-9-25-26(15-20)33-17-32-25/h6-9,14-16,18,21,28H,4-5,10-13,17H2,1-3H3