3-bromanyl-4-ethoxy-N-(2,4,4-trimethyl-3,8-dihydroisoquinolin-7-yl)benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-(2,4,4-trimethyl-3,8-dihydroisoquinolin-7-yl)benzamide Openeye Name: 3-bromo-4-ethoxy-N-(2,4,4-trimethyl-3,8-dihydroisoquinolin-7-yl)benzamide CAS Name: 3-bromo-4-ethoxy-N-(2,4,4-trimethyl-3,8-dihydroisoquinolin-7-yl)benzamide IUPAC Name: 3-bromo-4-ethoxy-N-(2,4,4-trimethyl-3,8-dihydroisoquinolin-7-yl)benzamide Traditional Name: 3-bromo-4-ethoxy-N-(2,4,4-trimethyl-3,8-dihydroisoquinolin-7-yl)benzamide Formula: C21H25BrN2O2 MolecularWeight: 417.3394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C3C(=CN(CC3(C)C)C)C2)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C3C(=CN(CC3(C)C)C)C2)Br

InChI

InChI=1S/C21H25BrN2O2/c1-5-26-19-9-6-14(11-18(19)22)20(25)23-16-7-8-17-15(10-16)12-24(4)13-21(17,2)3/h6-9,11-12H,5,10,13H2,1-4H3,(H,23,25)