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

Systemtic Name: 1-cyclohexyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(phenylmethyl)urea Openeye Name: 3-benzyl-1-cyclohexyl-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]urea CAS Name: 1-cyclohexyl-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-(phenylmethyl)urea IUPAC Name: 3-benzyl-1-cyclohexyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea Traditional Name: 3-benzyl-1-cyclohexyl-1-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C27H33N3O MolecularWeight: 415.57042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2CN(C3CCCCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CN(C3CCCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O/c1-22-11-8-9-14-24(22)20-29-18-10-17-26(29)21-30(25-15-6-3-7-16-25)27(31)28-19-23-12-4-2-5-13-23/h2,4-5,8-14,17-18,25H,3,6-7,15-16,19-21H2,1H3,(H,28,31)