1-cyclohexyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)urea

Systemtic Name: 1-cyclohexyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)urea Openeye Name: 1-cyclohexyl-3-(4-nitrophenyl)-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 1-cyclohexyl-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-cyclohexyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)urea Traditional Name: 1-cyclohexyl-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-3-(4-nitrophenyl)urea Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2CN(C3CCCCC3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CN(C3CCCCC3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H30N4O3/c1-20-8-5-6-9-21(20)18-28-17-7-12-25(28)19-29(23-10-3-2-4-11-23)26(31)27-22-13-15-24(16-14-22)30(32)33/h5-9,12-17,23H,2-4,10-11,18-19H2,1H3,(H,27,31)