4-[4-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)butyl]isoindole-1,3-dione

Systemtic Name: 4-[4-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)butyl]isoindole-1,3-dione Openeye Name: 4-[4-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)butyl]isoindoline-1,3-dione CAS Name: 4-[4-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)butyl]isoindole-1,3-dione IUPAC Name: 4-[4-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)butyl]isoindole-1,3-dione Traditional Name: 4-[4-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)butyl]isoindoline-1,3-quinone Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C2=CC=CC=C21)C3=CC=CC=C3)CCCCC4=CC=CC5=C4C(=O)NC5=O

Isomeric SMILES

C1CN(CC(C2=CC=CC=C21)C3=CC=CC=C3)CCCCC4=CC=CC5=C4C(=O)NC5=O

InChI

InChI=1S/C28H28N2O2/c31-27-24-15-8-13-22(26(24)28(32)29-27)12-6-7-17-30-18-16-21-11-4-5-14-23(21)25(19-30)20-9-2-1-3-10-20/h1-5,8-11,13-15,25H,6-7,12,16-19H2,(H,29,31,32)