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

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-pentyl-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea Openeye Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(3-chloro-4-fluoro-phenyl)-1-pentyl-urea CAS Name: 3-(3-chloro-4-fluorophenyl)-1-pentyl-1-[[1-(phenylmethyl)-2-pyrrolyl]methyl]urea IUPAC Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-(3-chloro-4-fluorophenyl)-1-pentylurea Traditional Name: 1-amyl-1-[(1-benzylpyrrol-2-yl)methyl]-3-(3-chloro-4-fluoro-phenyl)urea Formula: C24H27ClFN3O MolecularWeight: 427.942083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C24H27ClFN3O/c1-2-3-7-14-29(24(30)27-20-12-13-23(26)22(25)16-20)18-21-11-8-15-28(21)17-19-9-5-4-6-10-19/h4-6,8-13,15-16H,2-3,7,14,17-18H2,1H3,(H,27,30)