3-(2,6-dimethylphenyl)-1-pentyl-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea

Systemtic Name: 3-(2,6-dimethylphenyl)-1-pentyl-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea Openeye Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(2,6-dimethylphenyl)-1-pentyl-urea CAS Name: 3-(2,6-dimethylphenyl)-1-pentyl-1-[[1-(phenylmethyl)-2-pyrrolyl]methyl]urea IUPAC Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(2,6-dimethylphenyl)-1-pentylurea Traditional Name: 1-amyl-1-[(1-benzylpyrrol-2-yl)methyl]-3-(2,6-dimethylphenyl)urea Formula: C26H33N3O MolecularWeight: 403.55972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O/c1-4-5-9-17-29(26(30)27-25-21(2)12-10-13-22(25)3)20-24-16-11-18-28(24)19-23-14-7-6-8-15-23/h6-8,10-16,18H,4-5,9,17,19-20H2,1-3H3,(H,27,30)