3-(3-chloranyl-4-fluoranyl-phenyl)-1-cyclopropyl-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-cyclopropyl-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea Openeye Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(3-chloro-4-fluoro-phenyl)-1-cyclopropyl-urea CAS Name: 3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-[[1-(phenylmethyl)-2-pyrrolyl]methyl]urea IUPAC Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(3-chloro-4-fluorophenyl)-1-cyclopropylurea Traditional Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(3-chloro-4-fluoro-phenyl)-1-cyclopropyl-urea Formula: C22H21ClFN3O MolecularWeight: 397.873043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=CN2CC3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CC1N(CC2=CC=CN2CC3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H21ClFN3O/c23-20-13-17(8-11-21(20)24)25-22(28)27(18-9-10-18)15-19-7-4-12-26(19)14-16-5-2-1-3-6-16/h1-8,11-13,18H,9-10,14-15H2,(H,25,28)