1-(4-nitrophenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea

Systemtic Name: 1-(4-nitrophenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea Openeye Name: 1-(4-nitrophenyl)-3-[3-[3-(1-piperidylmethyl)phenoxy]propyl]urea CAS Name: 1-(4-nitrophenyl)-3-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]urea IUPAC Name: 1-(4-nitrophenyl)-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea Traditional Name: 1-(4-nitrophenyl)-3-[3-[3-(piperidinomethyl)phenoxy]propyl]urea Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4/c27-22(24-19-8-10-20(11-9-19)26(28)29)23-12-5-15-30-21-7-4-6-18(16-21)17-25-13-2-1-3-14-25/h4,6-11,16H,1-3,5,12-15,17H2,(H2,23,24,27)