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

Systemtic Name: 4-[2-(5-oxidanylidene-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)ethynyl]benzaldehyde Openeye Name: 4-[2-(5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)ethynyl]benzaldehyde CAS Name: 4-[2-(5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)ethynyl]benzaldehyde IUPAC Name: 4-[2-(5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)ethynyl]benzaldehyde Traditional Name: 4-[2-(5-keto-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)ethynyl]benzaldehyde Formula: C18H14N2O2 MolecularWeight: 290.31596

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C2=CC=CC(=C2N1)C#CC3=CC=C(C=C3)C=O

Isomeric SMILES

C1CNC(=O)C2=CC=CC(=C2N1)C#CC3=CC=C(C=C3)C=O

InChI

InChI=1S/C18H14N2O2/c21-12-14-6-4-13(5-7-14)8-9-15-2-1-3-16-17(15)19-10-11-20-18(16)22/h1-7,12,19H,10-11H2,(H,20,22)