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

Systemtic Name: N-(5-bromanyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-3-cyano-4-propan-2-yl-benzamide Openeye Name: N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-7-yl)-3-cyano-4-isopropyl-benzamide CAS Name: N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-7-yl)-3-cyano-4-propan-2-ylbenzamide IUPAC Name: N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-7-yl)-3-cyano-4-propan-2-ylbenzamide Traditional Name: N-(5-bromo-1,2,3,4-tetrahydroisoquinolin-7-yl)-3-cyano-4-isopropyl-benzamide Formula: C20H20BrN3O MolecularWeight: 398.2963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O/c1-12(2)17-4-3-13(7-14(17)10-22)20(25)24-16-8-15-11-23-6-5-18(15)19(21)9-16/h3-4,7-9,12,23H,5-6,11H2,1-2H3,(H,24,25)