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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C(=O)NC2=CC(=C3CCNCC3=C2)Br)C#N

Isomeric SMILES

CCCC1=C(C=C(C=C1)C(=O)NC2=CC(=C3CCNCC3=C2)Br)C#N

InChI

InChI=1S/C20H20BrN3O/c1-2-3-13-4-5-14(8-15(13)11-22)20(25)24-17-9-16-12-23-7-6-18(16)19(21)10-17/h4-5,8-10,23H,2-3,6-7,12H2,1H3,(H,24,25)