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

Systemtic Name: 1-[4-(4-isoquinolin-1-ylpiperazin-1-yl)butyl]-4,5-dihydro-3H-1-benzazepin-2-one Openeye Name: 1-[4-[4-(1-isoquinolyl)piperazin-1-yl]butyl]-4,5-dihydro-3H-1-benzazepin-2-one CAS Name: 1-[4-[4-(1-isoquinolinyl)-1-piperazinyl]butyl]-4,5-dihydro-3H-1-benzazepin-2-one IUPAC Name: 1-[4-(4-isoquinolin-1-ylpiperazin-1-yl)butyl]-4,5-dihydro-3H-1-benzazepin-2-one Traditional Name: 1-[4-[4-(1-isoquinolyl)piperazino]butyl]-4,5-dihydro-3H-1-benzazepin-2-one Formula: C27H32N4O MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1)CCCCN3CCN(CC3)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1)CCCCN3CCN(CC3)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C27H32N4O/c32-26-13-7-10-23-9-2-4-12-25(23)31(26)17-6-5-16-29-18-20-30(21-19-29)27-24-11-3-1-8-22(24)14-15-28-27/h1-4,8-9,11-12,14-15H,5-7,10,13,16-21H2