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

Systemtic Name: 1-[2-(2-hydroxyethyl)-1-methyl-4-[3-(4-nitrophenyl)propanoyl]piperazin-2-yl]-3-phenethyl-urea Openeye Name: 1-[2-(2-hydroxyethyl)-1-methyl-4-[3-(4-nitrophenyl)propanoyl]piperazin-2-yl]-3-phenethyl-urea CAS Name: 1-[2-(2-hydroxyethyl)-1-methyl-4-[3-(4-nitrophenyl)-1-oxopropyl]-2-piperazinyl]-3-phenethylurea IUPAC Name: 1-[2-(2-hydroxyethyl)-1-methyl-4-[3-(4-nitrophenyl)propanoyl]piperazin-2-yl]-3-phenethylurea Traditional Name: 1-[2-(2-hydroxyethyl)-1-methyl-4-[3-(4-nitrophenyl)propanoyl]piperazin-2-yl]-3-phenethyl-urea Formula: C25H33N5O5 MolecularWeight: 483.56002

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1(CCO)NC(=O)NCCC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1(CCO)NC(=O)NCCC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H33N5O5/c1-28-16-17-29(23(32)12-9-21-7-10-22(11-8-21)30(34)35)19-25(28,14-18-31)27-24(33)26-15-13-20-5-3-2-4-6-20/h2-8,10-11,31H,9,12-19H2,1H3,(H2,26,27,33)