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

Systemtic Name: 2-[3-(8-chloranyl-1-phenyl-3H-2-benzazepin-5-yl)prop-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[3-(8-chloro-1-phenyl-3H-2-benzazepin-5-yl)prop-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[3-(8-chloro-1-phenyl-3H-2-benzazepin-5-yl)prop-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[3-(8-chloro-1-phenyl-3H-2-benzazepin-5-yl)prop-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[3-(8-chloro-1-phenyl-3H-2-benzazepin-5-yl)prop-2-ynyl]isoindoline-1,3-quinone Formula: C27H17ClN2O2 MolecularWeight: 436.88908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H17ClN2O2/c28-20-12-13-21-18(14-15-29-25(24(21)17-20)19-7-2-1-3-8-19)9-6-16-30-26(31)22-10-4-5-11-23(22)27(30)32/h1-5,7-8,10-14,17H,15-16H2