2-[3-[8-chloranyl-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl]prop-2-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[8-chloranyl-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl]prop-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[3-[8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl]prop-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[3-[8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl]prop-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[3-[8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl]prop-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[3-[8-chloro-1-(2-fluorophenyl)-3H-2-benzazepin-5-yl]prop-2-ynyl]isoindoline-1,3-quinone Formula: C27H16ClFN2O2 MolecularWeight: 454.879543

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)C#CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1C=C(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)C#CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H16ClFN2O2/c28-18-11-12-19-17(6-5-15-31-26(32)20-7-1-2-8-21(20)27(31)33)13-14-30-25(23(19)16-18)22-9-3-4-10-24(22)29/h1-4,7-13,16H,14-15H2