2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(6-bromanyl-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(6-bromanyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(6-bromo-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(6-benzo[b][1,4]benzoxazepinyl)-1-piperazinyl]-2-(6-bromo-1H-indol-3-yl)acetic acid IUPAC Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(6-bromo-1H-indol-3-yl)acetic acid Traditional Name: 2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazino)-2-(6-bromo-1H-indol-3-yl)acetic acid Formula: C27H23BrN4O3 MolecularWeight: 531.40052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(C5=CNC6=C5C=CC(=C6)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(C5=CNC6=C5C=CC(=C6)Br)C(=O)O

InChI

InChI=1S/C27H23BrN4O3/c28-17-9-10-18-20(16-29-22(18)15-17)25(27(33)34)31-11-13-32(14-12-31)26-19-5-1-3-7-23(19)35-24-8-4-2-6-21(24)30-26/h1-10,15-16,25,29H,11-14H2,(H,33,34)