1-[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]-3-phenyl-urea

Systemtic Name: 1-[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]-3-phenyl-urea Openeye Name: 1-[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]-3-phenyl-urea CAS Name: 1-[[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methyl]-3-phenylurea IUPAC Name: 1-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-3-phenylurea Traditional Name: 1-[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]-3-phenyl-urea Formula: C20H20ClN3O MolecularWeight: 353.8453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)CNC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)CNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3O/c1-14-12-16(13-22-20(25)23-18-6-4-3-5-7-18)15(2)24(14)19-10-8-17(21)9-11-19/h3-12H,13H2,1-2H3,(H2,22,23,25)