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

Systemtic Name: 1-butyl-3-(2,6-dimethylphenyl)-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea Openeye Name: 1-[(1-benzylpyrrol-2-yl)methyl]-1-butyl-3-(2,6-dimethylphenyl)urea CAS Name: 1-butyl-3-(2,6-dimethylphenyl)-1-[[1-(phenylmethyl)-2-pyrrolyl]methyl]urea IUPAC Name: 1-[(1-benzylpyrrol-2-yl)methyl]-1-butyl-3-(2,6-dimethylphenyl)urea Traditional Name: 1-[(1-benzylpyrrol-2-yl)methyl]-1-butyl-3-(2,6-dimethylphenyl)urea Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O/c1-4-5-16-28(25(29)26-24-20(2)11-9-12-21(24)3)19-23-15-10-17-27(23)18-22-13-7-6-8-14-22/h6-15,17H,4-5,16,18-19H2,1-3H3,(H,26,29)