7-ethynyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-ethynyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-ethynyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-ethynyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-ethynyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-ethynyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C18H14N2O MolecularWeight: 274.31656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2)C#C)C3=CC=CC=C3

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)C#C)C3=CC=CC=C3

InChI

InChI=1S/C18H14N2O/c1-3-13-9-10-16-15(11-13)18(14-7-5-4-6-8-14)19-12-17(21)20(16)2/h1,4-11H,12H2,2H3