7-bromanyl-2-phenyl-4,4-bis(pyridin-4-ylmethyl)-1H-isoquinolin-3-one

Systemtic Name: 7-bromanyl-2-phenyl-4,4-bis(pyridin-4-ylmethyl)-1H-isoquinolin-3-one Openeye Name: 7-bromo-2-phenyl-4,4-bis(4-pyridylmethyl)-1H-isoquinolin-3-one CAS Name: 7-bromo-2-phenyl-4,4-bis(pyridin-4-ylmethyl)-1H-isoquinolin-3-one IUPAC Name: 7-bromo-2-phenyl-4,4-bis(pyridin-4-ylmethyl)-1H-isoquinolin-3-one Traditional Name: 7-bromo-2-phenyl-4,4-bis(4-pyridylmethyl)-1H-isoquinolin-3-one Formula: C27H22BrN3O MolecularWeight: 484.38708

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)Br)C(C(=O)N1C3=CC=CC=C3)(CC4=CC=NC=C4)CC5=CC=NC=C5

Isomeric SMILES

C1C2=C(C=CC(=C2)Br)C(C(=O)N1C3=CC=CC=C3)(CC4=CC=NC=C4)CC5=CC=NC=C5

InChI

InChI=1S/C27H22BrN3O/c28-23-6-7-25-22(16-23)19-31(24-4-2-1-3-5-24)26(32)27(25,17-20-8-12-29-13-9-20)18-21-10-14-30-15-11-21/h1-16H,17-19H2