1-[2-(2-hydroxyethyl)-4-[3-(4-nitrophenyl)propanoyl]-1-phenyl-piperazin-2-yl]-3-phenethyl-urea

Systemtic Name: 1-[2-(2-hydroxyethyl)-4-[3-(4-nitrophenyl)propanoyl]-1-phenyl-piperazin-2-yl]-3-phenethyl-urea Openeye Name: 1-[2-(2-hydroxyethyl)-4-[3-(4-nitrophenyl)propanoyl]-1-phenyl-piperazin-2-yl]-3-phenethyl-urea CAS Name: 1-[2-(2-hydroxyethyl)-4-[3-(4-nitrophenyl)-1-oxopropyl]-1-phenyl-2-piperazinyl]-3-phenethylurea IUPAC Name: 1-[2-(2-hydroxyethyl)-4-[3-(4-nitrophenyl)propanoyl]-1-phenylpiperazin-2-yl]-3-phenethylurea Traditional Name: 1-[2-(2-hydroxyethyl)-4-[3-(4-nitrophenyl)propanoyl]-1-phenyl-piperazin-2-yl]-3-phenethyl-urea Formula: C30H35N5O5 MolecularWeight: 545.6294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])(CCO)NC(=O)NCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(CN1C(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])(CCO)NC(=O)NCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H35N5O5/c36-22-18-30(32-29(38)31-19-17-24-7-3-1-4-8-24)23-33(20-21-34(30)26-9-5-2-6-10-26)28(37)16-13-25-11-14-27(15-12-25)35(39)40/h1-12,14-15,36H,13,16-23H2,(H2,31,32,38)