1,3,3,4,4,5,6,8-octadeuterio-7-[1,1,2,2,3,3,4,4-octadeuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)piperazin-1-yl]butoxy]quinolin-2-one

Systemtic Name: 1,3,3,4,4,5,6,8-octadeuterio-7-[1,1,2,2,3,3,4,4-octadeuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)piperazin-1-yl]butoxy]quinolin-2-one Openeye Name: 1,3,3,4,4,5,6,8-octadeuterio-7-[1,1,2,2,3,3,4,4-octadeuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)piperazin-1-yl]butoxy]quinolin-2-one CAS Name: 1,3,3,4,4,5,6,8-octadeuterio-7-[1,1,2,2,3,3,4,4-octadeuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-1-piperazinyl]butoxy]-2-quinolinone IUPAC Name: 1,3,3,4,4,5,6,8-octadeuterio-7-[1,1,2,2,3,3,4,4-octadeuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)piperazin-1-yl]butoxy]quinolin-2-one Traditional Name: 1,3,3,4,4,5,6,8-octadeuterio-7-[1,1,2,2,3,3,4,4-octadeuterio-4-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)piperazino]butoxy]carbostyril Formula: C23H29N3O2 MolecularWeight: 408.673952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])N2C(C(N(C(C2([2H])[2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OC3=C(C4=C(C(=C3[2H])[2H])C(C(C(=O)N4[2H])([2H])[2H])([2H])[2H])[2H])([2H])[2H])([2H])[2H])[2H])[2H]

InChI

InChI=1S/C23H29N3O2/c27-23-11-9-19-8-10-21(18-22(19)24-23)28-17-5-4-12-25-13-15-26(16-14-25)20-6-2-1-3-7-20/h1-3,6-8,10,18H,4-5,9,11-17H2,(H,24,27)/i1D,2D,3D,4D2,5D2,6D,7D,8D,9D2,10D,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D/hD