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

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-3-(3-fluorophenyl)urea Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(3-fluorophenyl)urea CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-3-(3-fluorophenyl)urea IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(3-fluorophenyl)urea Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(3-fluorophenyl)urea Formula: C27H27FN4O2 MolecularWeight: 458.527283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27FN4O2/c28-21-8-5-9-22(16-21)29-27(34)30-23-10-11-25(24(17-23)26(33)31-13-3-4-14-31)32-15-12-19-6-1-2-7-20(19)18-32/h1-2,5-11,16-17H,3-4,12-15,18H2,(H2,29,30,34)