3-bromanyl-4-ethoxy-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 3-bromo-4-ethoxy-N-(2-isopropyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide CAS Name: 3-bromo-4-ethoxy-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide IUPAC Name: 3-bromo-4-ethoxy-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 3-bromo-4-ethoxy-N-(2-isopropyl-3,4-dihydro-1H-isoquinolin-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=CC3=C(CCN(C3)C(C)C)C=C2)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(C)C)C=C2)Br

InChI

InChI=1S/C21H25BrN2O2/c1-4-26-20-8-6-16(12-19(20)22)21(25)23-18-7-5-15-9-10-24(14(2)3)13-17(15)11-18/h5-8,11-12,14H,4,9-10,13H2,1-3H3,(H,23,25)