6-bromanyl-1-oxidanylidene-4-phenyl-2-(phenylmethyl)-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-(phenylmethyl)-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide Openeye Name: 2-benzyl-6-bromo-1-oxo-4-phenyl-N-(4-pyridylmethyl)isoquinoline-3-carboxamide CAS Name: 6-bromo-1-oxo-4-phenyl-2-(phenylmethyl)-N-(pyridin-4-ylmethyl)-3-isoquinolinecarboxamide IUPAC Name: 2-benzyl-6-bromo-1-oxo-4-phenyl-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide Traditional Name: 2-benzyl-6-bromo-1-keto-4-phenyl-N-(4-pyridylmethyl)isoquinoline-3-carboxamide Formula: C29H22BrN3O2 MolecularWeight: 524.40788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)NCC5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)NCC5=CC=NC=C5

InChI

InChI=1S/C29H22BrN3O2/c30-23-11-12-24-25(17-23)26(22-9-5-2-6-10-22)27(28(34)32-18-20-13-15-31-16-14-20)33(29(24)35)19-21-7-3-1-4-8-21/h1-17H,18-19H2,(H,32,34)