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

Systemtic Name: 1-[2-(2-hydroxyethyl)-4-[3-(4-nitrophenyl)propanoyl]piperazin-2-yl]-3-phenethyl-urea Openeye Name: 1-[2-(2-hydroxyethyl)-4-[3-(4-nitrophenyl)propanoyl]piperazin-2-yl]-3-phenethyl-urea CAS Name: 1-[2-(2-hydroxyethyl)-4-[3-(4-nitrophenyl)-1-oxopropyl]-2-piperazinyl]-3-phenethylurea IUPAC Name: 1-[2-(2-hydroxyethyl)-4-[3-(4-nitrophenyl)propanoyl]piperazin-2-yl]-3-phenethylurea Traditional Name: 1-[2-(2-hydroxyethyl)-4-[3-(4-nitrophenyl)propanoyl]piperazin-2-yl]-3-phenethyl-urea Formula: C24H31N5O5 MolecularWeight: 469.53344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)(CCO)NC(=O)NCCC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(N1)(CCO)NC(=O)NCCC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H31N5O5/c30-17-13-24(27-23(32)25-14-12-19-4-2-1-3-5-19)18-28(16-15-26-24)22(31)11-8-20-6-9-21(10-7-20)29(33)34/h1-7,9-10,26,30H,8,11-18H2,(H2,25,27,32)