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

Systemtic Name: 3-[1-(4-cyclohexylpiperazin-1-yl)-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]-1-(2-hydroxyethyl)-1-phenethyl-urea Openeye Name: 3-[2-(4-cyclohexylpiperazin-1-yl)-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]-1-(2-hydroxyethyl)-1-phenethyl-urea CAS Name: 3-[1-(4-cyclohexyl-1-piperazinyl)-3-(4-nitrophenyl)-1-oxopropan-2-yl]-1-(2-hydroxyethyl)-1-phenethylurea IUPAC Name: 3-[1-(4-cyclohexylpiperazin-1-yl)-3-(4-nitrophenyl)-1-oxopropan-2-yl]-1-(2-hydroxyethyl)-1-phenethylurea Traditional Name: 3-[2-(4-cyclohexylpiperazino)-2-keto-1-(4-nitrobenzyl)ethyl]-1-(2-hydroxyethyl)-1-phenethyl-urea Formula: C30H41N5O5 MolecularWeight: 551.67704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)N(CCC4=CC=CC=C4)CCO

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)N(CCC4=CC=CC=C4)CCO

InChI

InChI=1S/C30H41N5O5/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/h1,3-4,7-8,11-14,26,28,36H,2,5-6,9-10,15-23H2,(H,31,38)