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

Systemtic Name: 3-(2,3-dimethylphenyl)-1-pentyl-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea Openeye Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(2,3-dimethylphenyl)-1-pentyl-urea CAS Name: 3-(2,3-dimethylphenyl)-1-pentyl-1-[[1-(phenylmethyl)-2-pyrrolyl]methyl]urea IUPAC Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(2,3-dimethylphenyl)-1-pentylurea Traditional Name: 1-amyl-1-[(1-benzylpyrrol-2-yl)methyl]-3-(2,3-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=CC=CC(=C3C)C

Isomeric SMILES

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

InChI

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