N-but-3-yn-2-yl-7-fluoranyl-5-phenyl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: N-but-3-yn-2-yl-7-fluoranyl-5-phenyl-3H-1,4-benzodiazepin-2-amine Openeye Name: 7-fluoro-N-(1-methylprop-2-ynyl)-5-phenyl-3H-1,4-benzodiazepin-2-amine CAS Name: N-but-3-yn-2-yl-7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine IUPAC Name: N-but-3-yn-2-yl-7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine Traditional Name: (7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-yl)-(1-methylprop-2-ynyl)amine Formula: C19H16FN3 MolecularWeight: 305.348843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)NC1=NC2=C(C=C(C=C2)F)C(=NC1)C3=CC=CC=C3

Isomeric SMILES

CC(C#C)NC1=NC2=C(C=C(C=C2)F)C(=NC1)C3=CC=CC=C3

InChI

InChI=1S/C19H16FN3/c1-3-13(2)22-18-12-21-19(14-7-5-4-6-8-14)16-11-15(20)9-10-17(16)23-18/h1,4-11,13H,12H2,2H3,(H,22,23)