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

Systemtic Name: 3-[2-(5-oxidanylidene-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)ethynyl]benzaldehyde Openeye Name: 3-[2-(5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)ethynyl]benzaldehyde CAS Name: 3-[2-(5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)ethynyl]benzaldehyde IUPAC Name: 3-[2-(5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)ethynyl]benzaldehyde Traditional Name: 3-[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(=CC=C3)C=O

Isomeric SMILES

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

InChI

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