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

Systemtic Name: 1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentyl-3-(phenylmethyl)urea Openeye Name: 3-benzyl-1-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-1-pentyl-urea CAS Name: 1-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-1-pentyl-3-(phenylmethyl)urea IUPAC Name: 3-benzyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea Traditional Name: 1-amyl-3-benzyl-1-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]urea Formula: C26H33N3O MolecularWeight: 403.55972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O/c1-3-4-8-16-29(26(30)27-19-23-12-6-5-7-13-23)21-25-15-10-17-28(25)20-24-14-9-11-22(2)18-24/h5-7,9-15,17-18H,3-4,8,16,19-21H2,1-2H3,(H,27,30)