N-but-3-yn-2-yl-5-(2-fluorophenyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine

Systemtic Name: N-but-3-yn-2-yl-5-(2-fluorophenyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine Openeye Name: 5-(2-fluorophenyl)-N-(1-methylprop-2-ynyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine CAS Name: N-but-3-yn-2-yl-5-(2-fluorophenyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: N-but-3-yn-2-yl-5-(2-fluorophenyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine Traditional Name: [5-(2-fluorophenyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]-(1-methylprop-2-ynyl)amine Formula: C20H15F4N3 MolecularWeight: 373.346813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15F4N3/c1-3-12(2)26-18-11-25-19(14-6-4-5-7-16(14)21)15-10-13(20(22,23)24)8-9-17(15)27-18/h1,4-10,12H,11H2,2H3,(H,26,27)