3-(3,4-dimethylphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea

Systemtic Name: 3-(3,4-dimethylphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-urea Openeye Name: 3-(3,4-dimethylphenyl)-1-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 3-(3,4-dimethylphenyl)-1-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-pentylurea IUPAC Name: 3-(3,4-dimethylphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-3-(3,4-dimethylphenyl)-1-[[1-(2-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=C2C)C(=O)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2C)C(=O)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C27H35N3O/c1-5-6-9-16-30(27(31)28-25-15-14-21(2)23(4)18-25)20-26-13-10-17-29(26)19-24-12-8-7-11-22(24)3/h7-8,10-15,17-18H,5-6,9,16,19-20H2,1-4H3,(H,28,31)