9-(2-phenylethynyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one

Systemtic Name: 9-(2-phenylethynyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Openeye Name: 9-(2-phenylethynyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one CAS Name: 9-(2-phenylethynyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one IUPAC Name: 9-(2-phenylethynyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Traditional Name: 9-(2-phenylethynyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one Formula: C17H14N2O MolecularWeight: 262.30586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O/c20-17-15-8-4-7-14(16(15)18-11-12-19-17)10-9-13-5-2-1-3-6-13/h1-8,18H,11-12H2,(H,19,20)