2-(but-3-yn-2-ylamino)-5-(2-fluorophenyl)-3H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 2-(but-3-yn-2-ylamino)-5-(2-fluorophenyl)-3H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 5-(2-fluorophenyl)-2-(1-methylprop-2-ynylamino)-3H-1,4-benzodiazepine-7-carbonitrile CAS Name: 2-(but-3-yn-2-ylamino)-5-(2-fluorophenyl)-3H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 2-(but-3-yn-2-ylamino)-5-(2-fluorophenyl)-3H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 5-(2-fluorophenyl)-2-(1-methylprop-2-ynylamino)-3H-1,4-benzodiazepine-7-carbonitrile Formula: C20H15FN4 MolecularWeight: 330.358303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)NC1=NC2=C(C=C(C=C2)C#N)C(=NC1)C3=CC=CC=C3F

Isomeric SMILES

CC(C#C)NC1=NC2=C(C=C(C=C2)C#N)C(=NC1)C3=CC=CC=C3F

InChI

InChI=1S/C20H15FN4/c1-3-13(2)24-19-12-23-20(15-6-4-5-7-17(15)21)16-10-14(11-22)8-9-18(16)25-19/h1,4-10,13H,12H2,2H3,(H,24,25)