1-[4-(diphenylmethyl)piperazin-1-yl]-3-(8-nitroquinolin-5-yl)oxy-propan-2-ol

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-(8-nitroquinolin-5-yl)oxy-propan-2-ol Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[(8-nitro-5-quinolyl)oxy]propan-2-ol CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-[(8-nitro-5-quinolinyl)oxy]-2-propanol IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol Traditional Name: 1-(4-benzhydrylpiperazino)-3-[(8-nitro-5-quinolyl)oxy]propan-2-ol Formula: C29H30N4O4 MolecularWeight: 498.5729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=C3C=CC=NC3=C(C=C2)[N+](=O)[O-])O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(COC2=C3C=CC=NC3=C(C=C2)[N+](=O)[O-])O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O4/c34-24(21-37-27-14-13-26(33(35)36)28-25(27)12-7-15-30-28)20-31-16-18-32(19-17-31)29(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-15,24,29,34H,16-21H2