4-bromanylisoquinolin-5-amine; 4-bromanylisoquinoline

Systemtic Name: 4-bromanylisoquinolin-5-amine; 4-bromanylisoquinoline Openeye Name: 4-bromoisoquinolin-5-amine; 4-bromoisoquinoline CAS Name: 4-bromo-5-isoquinolinamine; 4-bromoisoquinoline IUPAC Name: 4-bromoisoquinolin-5-amine; 4-bromoisoquinoline Traditional Name: 4-bromoisoquinoline; (4-bromo-5-isoquinolyl)amine Formula: C18H13Br2N3 MolecularWeight: 431.12392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2Br.C1=CC2=CN=CC(=C2C(=C1)N)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2Br.C1=CC2=CN=CC(=C2C(=C1)N)Br

InChI

InChI=1S/C9H7BrN2.C9H6BrN/c10-7-5-12-4-6-2-1-3-8(11)9(6)7;10-9-6-11-5-7-3-1-2-4-8(7)9/h1-5H,11H2;1-6H