1-(5-nitro-2-pyrrolidin-1-yl-phenoxy)-3-[3-(phenylmethyl)piperidin-1-yl]propan-2-ol

Systemtic Name: 1-(5-nitro-2-pyrrolidin-1-yl-phenoxy)-3-[3-(phenylmethyl)piperidin-1-yl]propan-2-ol Openeye Name: 1-(3-benzyl-1-piperidyl)-3-(5-nitro-2-pyrrolidin-1-yl-phenoxy)propan-2-ol CAS Name: 1-[5-nitro-2-(1-pyrrolidinyl)phenoxy]-3-[3-(phenylmethyl)-1-piperidinyl]-2-propanol IUPAC Name: 1-(3-benzylpiperidin-1-yl)-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol Traditional Name: 1-(3-benzylpiperidino)-3-(5-nitro-2-pyrrolidino-phenoxy)propan-2-ol Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])OCC(CN3CCCC(C3)CC4=CC=CC=C4)O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])OCC(CN3CCCC(C3)CC4=CC=CC=C4)O

InChI

InChI=1S/C25H33N3O4/c29-23(18-26-12-6-9-21(17-26)15-20-7-2-1-3-8-20)19-32-25-16-22(28(30)31)10-11-24(25)27-13-4-5-14-27/h1-3,7-8,10-11,16,21,23,29H,4-6,9,12-15,17-19H2