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

Systemtic Name: 1-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]-3-(4-methylphenyl)urea Openeye Name: 1-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]-3-(p-tolyl)urea CAS Name: 1-[[1-(3-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methyl]-3-(4-methylphenyl)urea IUPAC Name: 1-[[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-3-(4-methylphenyl)urea Traditional Name: 1-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methyl]-3-(p-tolyl)urea Formula: C21H22ClN3O MolecularWeight: 367.87188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCC2=C(N(C(=C2)C)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NCC2=C(N(C(=C2)C)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C21H22ClN3O/c1-14-7-9-19(10-8-14)24-21(26)23-13-17-11-15(2)25(16(17)3)20-6-4-5-18(22)12-20/h4-12H,13H2,1-3H3,(H2,23,24,26)