5-phenyl-2-(prop-2-ynylamino)-3H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 5-phenyl-2-(prop-2-ynylamino)-3H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 5-phenyl-2-(prop-2-ynylamino)-3H-1,4-benzodiazepine-7-carbonitrile CAS Name: 5-phenyl-2-(prop-2-ynylamino)-3H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 5-phenyl-2-(prop-2-ynylamino)-3H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 5-phenyl-2-(propargylamino)-3H-1,4-benzodiazepine-7-carbonitrile Formula: C19H14N4 MolecularWeight: 298.34126

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC2=C(C=C(C=C2)C#N)C(=NC1)C3=CC=CC=C3

Isomeric SMILES

C#CCNC1=NC2=C(C=C(C=C2)C#N)C(=NC1)C3=CC=CC=C3

InChI

InChI=1S/C19H14N4/c1-2-10-21-18-13-22-19(15-6-4-3-5-7-15)16-11-14(12-20)8-9-17(16)23-18/h1,3-9,11H,10,13H2,(H,21,23)