1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(3-methylphenyl)urea

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(3-methylphenyl)urea Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(m-tolyl)urea CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(3-methylphenyl)urea Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-1-(3-imidazol-1-ylpropyl)-3-(m-tolyl)urea Formula: C21H22ClFN4O MolecularWeight: 400.876983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N(CCCN2C=CN=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N(CCCN2C=CN=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H22ClFN4O/c1-16-5-2-6-17(13-16)25-21(28)27(11-4-10-26-12-9-24-15-26)14-18-19(22)7-3-8-20(18)23/h2-3,5-9,12-13,15H,4,10-11,14H2,1H3,(H,25,28)