(E)-3-(8-chloranyl-1-phenyl-3H-2-benzazepin-5-yl)hex-2-en-4-yne-1,6-diol

Systemtic Name: (E)-3-(8-chloranyl-1-phenyl-3H-2-benzazepin-5-yl)hex-2-en-4-yne-1,6-diol Openeye Name: (E)-3-(8-chloro-1-phenyl-3H-2-benzazepin-5-yl)hex-2-en-4-yne-1,6-diol CAS Name: (E)-3-(8-chloro-1-phenyl-3H-2-benzazepin-5-yl)hex-2-en-4-yne-1,6-diol IUPAC Name: (E)-3-(8-chloro-1-phenyl-3H-2-benzazepin-5-yl)hex-2-en-4-yne-1,6-diol Traditional Name: (E)-3-(8-chloro-1-phenyl-3H-2-benzazepin-5-yl)hex-2-en-4-yne-1,6-diol Formula: C22H18ClNO2 MolecularWeight: 363.83682

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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(=CCO)C#CCO

Isomeric SMILES

C1C=C(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)/C(=C/CO)/C#CCO

InChI

InChI=1S/C22H18ClNO2/c23-18-8-9-20-19(16(11-14-26)7-4-13-25)10-12-24-22(21(20)15-18)17-5-2-1-3-6-17/h1-3,5-6,8-11,15,25-26H,12-14H2/b16-11+