1-[3-[4-(diphenylmethyl)piperazin-1-yl]-8-nitro-quinolin-2-yl]oxypropan-2-ol

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C=C2C=CC=C(C2=N1)[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CC(COC1=C(C=C2C=CC=C(C2=N1)[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C29H30N4O4/c1-21(34)20-37-29-26(19-24-13-8-14-25(33(35)36)27(24)30-29)31-15-17-32(18-16-31)28(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,19,21,28,34H,15-18,20H2,1H3