3-[4-(7-bromanyl-3-phenyl-5H-1-benzazepin-2-yl)piperazin-1-yl]-1-phenyl-propan-1-one

Systemtic Name: 3-[4-(7-bromanyl-3-phenyl-5H-1-benzazepin-2-yl)piperazin-1-yl]-1-phenyl-propan-1-one Openeye Name: 3-[4-(7-bromo-3-phenyl-5H-1-benzazepin-2-yl)piperazin-1-yl]-1-phenyl-propan-1-one CAS Name: 3-[4-(7-bromo-3-phenyl-5H-1-benzazepin-2-yl)-1-piperazinyl]-1-phenyl-1-propanone IUPAC Name: 3-[4-(7-bromo-3-phenyl-5H-1-benzazepin-2-yl)piperazin-1-yl]-1-phenylpropan-1-one Traditional Name: 3-[4-(7-bromo-3-phenyl-5H-1-benzazepin-2-yl)piperazino]-1-phenyl-propan-1-one Formula: C29H28BrN3O MolecularWeight: 514.45612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC=CC=C2)C3=NC4=C(CC=C3C5=CC=CC=C5)C=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC=CC=C2)C3=NC4=C(CC=C3C5=CC=CC=C5)C=C(C=C4)Br

InChI

InChI=1S/C29H28BrN3O/c30-25-12-14-27-24(21-25)11-13-26(22-7-3-1-4-8-22)29(31-27)33-19-17-32(18-20-33)16-15-28(34)23-9-5-2-6-10-23/h1-10,12-14,21H,11,15-20H2