2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-4,5-dihydro-3H-2-benzazepin-1-one

Systemtic Name: 2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-4,5-dihydro-3H-2-benzazepin-1-one Openeye Name: 2-[2-[4-(1-isoquinolyl)piperazin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one CAS Name: 2-[2-[4-(1-isoquinolinyl)-1-piperazinyl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one IUPAC Name: 2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-4,5-dihydro-3H-2-benzazepin-1-one Traditional Name: 2-[2-[4-(1-isoquinolyl)piperazino]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one Formula: C25H28N4O MolecularWeight: 400.51602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C(=O)N(C1)CCN3CCN(CC3)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CC2=CC=CC=C2C(=O)N(C1)CCN3CCN(CC3)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C25H28N4O/c30-25-23-10-4-2-6-20(23)8-5-13-29(25)19-16-27-14-17-28(18-15-27)24-22-9-3-1-7-21(22)11-12-26-24/h1-4,6-7,9-12H,5,8,13-19H2