N-(5-bromanyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-3-cyano-4-ethoxy-benzamide

Systemtic Name: N-(5-bromanyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-3-cyano-4-ethoxy-benzamide Openeye Name: N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-7-yl)-3-cyano-4-ethoxy-benzamide CAS Name: N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-7-yl)-3-cyano-4-ethoxybenzamide IUPAC Name: N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-7-yl)-3-cyano-4-ethoxybenzamide Traditional Name: N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-7-yl)-3-cyano-4-ethoxy-benzamide Formula: C19H18BrN3O2 MolecularWeight: 400.26912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C3CCNCC3=C2)Br)C#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C3CCNCC3=C2)Br)C#N

InChI

InChI=1S/C19H18BrN3O2/c1-2-25-18-4-3-12(7-13(18)10-21)19(24)23-15-8-14-11-22-6-5-16(14)17(20)9-15/h3-4,7-9,22H,2,5-6,11H2,1H3,(H,23,24)