N-[4-(4-aminophenyl)-1-bromanyl-isoquinolin-3-yl]ethanamide

Systemtic Name: N-[4-(4-aminophenyl)-1-bromanyl-isoquinolin-3-yl]ethanamide Openeye Name: N-[4-(4-aminophenyl)-1-bromo-3-isoquinolyl]acetamide CAS Name: N-[4-(4-aminophenyl)-1-bromo-3-isoquinolinyl]acetamide IUPAC Name: N-[4-(4-aminophenyl)-1-bromoisoquinolin-3-yl]acetamide Traditional Name: N-[4-(4-aminophenyl)-1-bromo-3-isoquinolyl]acetamide Formula: C17H14BrN3O MolecularWeight: 356.21656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=CC=CC=C2C(=N1)Br)C3=CC=C(C=C3)N

Isomeric SMILES

CC(=O)NC1=C(C2=CC=CC=C2C(=N1)Br)C3=CC=C(C=C3)N

InChI

InChI=1S/C17H14BrN3O/c1-10(22)20-17-15(11-6-8-12(19)9-7-11)13-4-2-3-5-14(13)16(18)21-17/h2-9H,19H2,1H3,(H,20,21,22)