1-[1-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[1-(4-cyclohexylcarbonyl-3-methyl-piperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-3-(4-nitrophenyl)urea Openeye Name: 1-[1-benzyl-2-[4-(cyclohexanecarbonyl)-3-methyl-piperazin-1-yl]-2-oxo-ethyl]-3-(4-nitrophenyl)urea CAS Name: 1-[1-[4-[cyclohexyl(oxo)methyl]-3-methyl-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-(4-nitrophenyl)urea Traditional Name: 1-[1-benzyl-2-[4-(cyclohexanecarbonyl)-3-methyl-piperazino]-2-keto-ethyl]-3-(4-nitrophenyl)urea Formula: C28H35N5O5 MolecularWeight: 521.608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCCC2)C(=O)C(CC3=CC=CC=C3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCCC2)C(=O)C(CC3=CC=CC=C3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H35N5O5/c1-20-19-31(16-17-32(20)26(34)22-10-6-3-7-11-22)27(35)25(18-21-8-4-2-5-9-21)30-28(36)29-23-12-14-24(15-13-23)33(37)38/h2,4-5,8-9,12-15,20,22,25H,3,6-7,10-11,16-19H2,1H3,(H2,29,30,36)