8-[2-(4-fluorophenyl)ethynyl]-4-[3-(1,2,3-triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 8-[2-(4-fluorophenyl)ethynyl]-4-[3-(1,2,3-triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-[2-(4-fluorophenyl)ethynyl]-4-[3-(triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-[2-(4-fluorophenyl)ethynyl]-4-[3-(1-triazolyl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-[2-(4-fluorophenyl)ethynyl]-4-[3-(triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-[2-(4-fluorophenyl)ethynyl]-4-[3-(triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C25H16FN5O MolecularWeight: 421.425843

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)F)NC1=O)C4=CC(=CC=C4)N5C=CN=N5

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C#CC3=CC=C(C=C3)F)NC1=O)C4=CC(=CC=C4)N5C=CN=N5

InChI

InChI=1S/C25H16FN5O/c26-20-9-6-17(7-10-20)4-5-18-8-11-22-24(14-18)29-25(32)16-23(28-22)19-2-1-3-21(15-19)31-13-12-27-30-31/h1-3,6-15H,16H2,(H,29,32)