1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]urea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]urea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]urea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea Formula: C27H26ClFN4O2 MolecularWeight: 492.972343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC(=C(C=C3)F)Cl)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC(=C(C=C3)F)Cl)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H26ClFN4O2/c28-23-16-21(7-9-24(23)29)31-27(35)30-20-8-10-25(22(15-20)26(34)32-12-3-4-13-32)33-14-11-18-5-1-2-6-19(18)17-33/h1-2,5-10,15-16H,3-4,11-14,17H2,(H2,30,31,35)