N-[(4-bromophenyl)methyl]-2-isoquinolin-5-yl-butanamide

Systemtic Name: N-[(4-bromophenyl)methyl]-2-isoquinolin-5-yl-butanamide Openeye Name: N-[(4-bromophenyl)methyl]-2-(5-isoquinolyl)butanamide CAS Name: N-[(4-bromophenyl)methyl]-2-(5-isoquinolinyl)butanamide IUPAC Name: N-[(4-bromophenyl)methyl]-2-isoquinolin-5-ylbutanamide Traditional Name: N-(4-bromobenzyl)-2-(5-isoquinolyl)butyramide Formula: C20H19BrN2O MolecularWeight: 383.28166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC2=C1C=CN=C2)C(=O)NCC3=CC=C(C=C3)Br

Isomeric SMILES

CCC(C1=CC=CC2=C1C=CN=C2)C(=O)NCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN2O/c1-2-17(19-5-3-4-15-13-22-11-10-18(15)19)20(24)23-12-14-6-8-16(21)9-7-14/h3-11,13,17H,2,12H2,1H3,(H,23,24)