4-[2-(7-fluoranyl-5-oxidanylidene-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)ethynyl]benzaldehyde

Systemtic Name: 4-[2-(7-fluoranyl-5-oxidanylidene-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)ethynyl]benzaldehyde Openeye Name: 4-[2-(7-fluoro-5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)ethynyl]benzaldehyde CAS Name: 4-[2-(7-fluoro-5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)ethynyl]benzaldehyde IUPAC Name: 4-[2-(7-fluoro-5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)ethynyl]benzaldehyde Traditional Name: 4-[2-(7-fluoro-5-keto-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)ethynyl]benzaldehyde Formula: C18H13FN2O2 MolecularWeight: 308.306423

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C2=C(N1)C(=CC(=C2)F)C#CC3=CC=C(C=C3)C=O

Isomeric SMILES

C1CNC(=O)C2=C(N1)C(=CC(=C2)F)C#CC3=CC=C(C=C3)C=O

InChI

InChI=1S/C18H13FN2O2/c19-15-9-14(6-5-12-1-3-13(11-22)4-2-12)17-16(10-15)18(23)21-8-7-20-17/h1-4,9-11,20H,7-8H2,(H,21,23)