1-(2-hydroxyethyl)-3-[3-(4-nitrophenyl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]-1-phenethyl-urea

Systemtic Name: 1-(2-hydroxyethyl)-3-[3-(4-nitrophenyl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]-1-phenethyl-urea Openeye Name: 1-(2-hydroxyethyl)-3-[1-[(4-nitrophenyl)methyl]-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-phenethyl-urea CAS Name: 1-(2-hydroxyethyl)-3-[3-(4-nitrophenyl)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-1-phenethylurea IUPAC Name: 1-(2-hydroxyethyl)-3-[3-(4-nitrophenyl)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-1-phenethylurea Traditional Name: 1-(2-hydroxyethyl)-3-[2-keto-1-(4-nitrobenzyl)-2-(4-phenylpiperazino)ethyl]-1-phenethyl-urea Formula: C30H35N5O5 MolecularWeight: 545.6294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)N(CCC4=CC=CC=C4)CCO

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)N(CCC4=CC=CC=C4)CCO

InChI

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