1-(diethylamino)-3-[5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]phenoxy]propan-2-ol

Systemtic Name: 1-(diethylamino)-3-[5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]phenoxy]propan-2-ol Openeye Name: 1-[2-(4-benzylpiperazin-1-yl)-5-nitro-phenoxy]-3-(diethylamino)propan-2-ol CAS Name: 1-(diethylamino)-3-[5-nitro-2-[4-(phenylmethyl)-1-piperazinyl]phenoxy]-2-propanol IUPAC Name: 1-[2-(4-benzylpiperazin-1-yl)-5-nitrophenoxy]-3-(diethylamino)propan-2-ol Traditional Name: 1-[2-(4-benzylpiperazino)-5-nitro-phenoxy]-3-(diethylamino)propan-2-ol Formula: C24H34N4O4 MolecularWeight: 442.55116

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(COC1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CCN(CC)CC(COC1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C24H34N4O4/c1-3-25(4-2)18-22(29)19-32-24-16-21(28(30)31)10-11-23(24)27-14-12-26(13-15-27)17-20-8-6-5-7-9-20/h5-11,16,22,29H,3-4,12-15,17-19H2,1-2H3