6-bromanyl-2-(naphthalen-1-ylmethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-(naphthalen-1-ylmethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-(1-naphthylmethyl)-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-(1-naphthalenylmethyl)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-(naphthalen-1-ylmethyl)-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-(1-naphthylmethyl)-4-phenyl-isoquinoline-3-carboxylic acid Formula: C27H18BrNO3 MolecularWeight: 484.34072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=CC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=CC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C27H18BrNO3/c28-20-13-14-22-23(15-20)24(18-8-2-1-3-9-18)25(27(31)32)29(26(22)30)16-19-11-6-10-17-7-4-5-12-21(17)19/h1-15H,16H2,(H,31,32)