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

Systemtic Name: 4-(3-nitrophenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-(3-nitrophenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-(3-nitrophenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-(3-nitrophenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-(3-nitrophenyl)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C23H15N3O3 MolecularWeight: 381.3835

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C#CC3=CC=CC=C3)NC1=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C#CC3=CC=CC=C3)NC1=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H15N3O3/c27-23-15-21(18-7-4-8-19(14-18)26(28)29)24-20-12-11-17(13-22(20)25-23)10-9-16-5-2-1-3-6-16/h1-8,11-14H,15H2,(H,25,27)