1-methyl-5-(2-phenylethynyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-methyl-5-(2-phenylethynyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 1-methyl-5-(2-phenylethynyl)-3H-1,4-benzodiazepin-2-one CAS Name: 1-methyl-5-(2-phenylethynyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-methyl-5-(2-phenylethynyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 1-methyl-5-(2-phenylethynyl)-3H-1,4-benzodiazepin-2-one Formula: C18H14N2O MolecularWeight: 274.31656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=CC=CC=C21)C#CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)CN=C(C2=CC=CC=C21)C#CC3=CC=CC=C3

InChI

InChI=1S/C18H14N2O/c1-20-17-10-6-5-9-15(17)16(19-13-18(20)21)12-11-14-7-3-2-4-8-14/h2-10H,13H2,1H3