9-ethynyl-7-fluoranyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one

Systemtic Name: 9-ethynyl-7-fluoranyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Openeye Name: 9-ethynyl-7-fluoro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one CAS Name: 9-ethynyl-7-fluoro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one IUPAC Name: 9-ethynyl-7-fluoro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Traditional Name: 9-ethynyl-7-fluoro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Formula: C11H9FN2O MolecularWeight: 204.200363

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC2=C1NCCNC2=O)F

Isomeric SMILES

C#CC1=CC(=CC2=C1NCCNC2=O)F

InChI

InChI=1S/C11H9FN2O/c1-2-7-5-8(12)6-9-10(7)13-3-4-14-11(9)15/h1,5-6,13H,3-4H2,(H,14,15)