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

Systemtic Name: 1-cyclohexyl-3-(4-methoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Openeye Name: 1-cyclohexyl-3-(4-methoxyphenyl)-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 1-cyclohexyl-3-(4-methoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]urea IUPAC Name: 1-cyclohexyl-3-(4-methoxyphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 1-cyclohexyl-3-(4-methoxyphenyl)-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2CN(C3CCCCC3)C(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CN(C3CCCCC3)C(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H33N3O2/c1-21-9-6-7-10-22(21)19-29-18-8-13-25(29)20-30(24-11-4-3-5-12-24)27(31)28-23-14-16-26(32-2)17-15-23/h6-10,13-18,24H,3-5,11-12,19-20H2,1-2H3,(H,28,31)