2-bromanyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]benzamide

Systemtic Name: 2-bromanyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]benzamide Openeye Name: 2-bromo-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide CAS Name: 2-bromo-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]benzamide IUPAC Name: 2-bromo-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide Traditional Name: 2-bromo-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide Formula: C27H26BrN3O2 MolecularWeight: 504.41824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3Br)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3Br)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H26BrN3O2/c28-24-10-4-3-9-22(24)26(32)29-21-11-12-25(23(17-21)27(33)30-14-5-6-15-30)31-16-13-19-7-1-2-8-20(19)18-31/h1-4,7-12,17H,5-6,13-16,18H2,(H,29,32)