3-(2,3-dimethylphenyl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea

Systemtic Name: 3-(2,3-dimethylphenyl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea Openeye Name: 3-(2,3-dimethylphenyl)-1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 3-(2,3-dimethylphenyl)-1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-pentylurea IUPAC Name: 3-(2,3-dimethylphenyl)-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-3-(2,3-dimethylphenyl)-1-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C27H35N3O MolecularWeight: 417.5863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NC3=CC=CC(=C3C)C

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C27H35N3O/c1-5-6-7-16-30(27(31)28-26-15-9-12-22(3)23(26)4)20-25-14-10-17-29(25)19-24-13-8-11-21(2)18-24/h8-15,17-18H,5-7,16,19-20H2,1-4H3,(H,28,31)