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

Systemtic Name: 9-ethynyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Openeye Name: 9-ethynyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one CAS Name: 9-ethynyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one IUPAC Name: 9-ethynyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Traditional Name: 9-ethynyl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Formula: C11H10N2O MolecularWeight: 186.2099

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C2C(=CC=C1)C(=O)NCCN2

Isomeric SMILES

C#CC1=C2C(=CC=C1)C(=O)NCCN2

InChI

InChI=1S/C11H10N2O/c1-2-8-4-3-5-9-10(8)12-6-7-13-11(9)14/h1,3-5,12H,6-7H2,(H,13,14)