5-bromanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridinyl)ethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-2-furamide Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC=C(O3)Br)C4=CN=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC=C(O3)Br)C4=CN=CC=C4

InChI

InChI=1S/C21H20BrN3O2/c22-20-8-7-19(27-20)21(26)24-13-18(16-6-3-10-23-12-16)25-11-9-15-4-1-2-5-17(15)14-25/h1-8,10,12,18H,9,11,13-14H2,(H,24,26)