4-(3-ethynylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-(3-ethynylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-(3-ethynylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-(3-ethynylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-(3-ethynylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-(3-ethynylphenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C25H16N2O MolecularWeight: 360.40734

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)C2=NC3=C(C=C(C=C3)C#CC4=CC=CC=C4)NC(=O)C2

Isomeric SMILES

C#CC1=CC(=CC=C1)C2=NC3=C(C=C(C=C3)C#CC4=CC=CC=C4)NC(=O)C2

InChI

InChI=1S/C25H16N2O/c1-2-18-9-6-10-21(15-18)23-17-25(28)27-24-16-20(13-14-22(24)26-23)12-11-19-7-4-3-5-8-19/h1,3-10,13-16H,17H2,(H,27,28)