1-(cyclohexylmethyl)-3-methyl-1-[[4-[[(3-nitro-3H-pyrrol-2-yl)amino]methyl]cyclohexyl]methyl]-3-phenyl-urea

Systemtic Name: 1-(cyclohexylmethyl)-3-methyl-1-[[4-[[(3-nitro-3H-pyrrol-2-yl)amino]methyl]cyclohexyl]methyl]-3-phenyl-urea Openeye Name: 1-(cyclohexylmethyl)-3-methyl-1-[[4-[[(3-nitro-3H-pyrrol-2-yl)amino]methyl]cyclohexyl]methyl]-3-phenyl-urea CAS Name: 1-(cyclohexylmethyl)-3-methyl-1-[[4-[[(3-nitro-3H-pyrrol-2-yl)amino]methyl]cyclohexyl]methyl]-3-phenylurea IUPAC Name: 1-(cyclohexylmethyl)-3-methyl-1-[[4-[[(3-nitro-3H-pyrrol-2-yl)amino]methyl]cyclohexyl]methyl]-3-phenylurea Traditional Name: 1-(cyclohexylmethyl)-3-methyl-1-[[4-[[(3-nitro-3H-pyrrol-2-yl)amino]methyl]cyclohexyl]methyl]-3-phenyl-urea Formula: C27H39N5O3 MolecularWeight: 481.63026

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)N(CC2CCCCC2)CC3CCC(CC3)CNC4=NC=CC4[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)N(CC2CCCCC2)CC3CCC(CC3)CNC4=NC=CC4[N+](=O)[O-]

InChI

InChI=1S/C27H39N5O3/c1-30(24-10-6-3-7-11-24)27(33)31(19-22-8-4-2-5-9-22)20-23-14-12-21(13-15-23)18-29-26-25(32(34)35)16-17-28-26/h3,6-7,10-11,16-17,21-23,25H,2,4-5,8-9,12-15,18-20H2,1H3,(H,28,29)