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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1)CCN3CCN(CC3)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1)CCN3CCN(CC3)C4=NC=CC5=CC=CC=C54

InChI

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