5-(2-fluorophenyl)-N-prop-2-ynyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 5-(2-fluorophenyl)-N-prop-2-ynyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine Openeye Name: 5-(2-fluorophenyl)-N-prop-2-ynyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine CAS Name: 5-(2-fluorophenyl)-N-prop-2-ynyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: 5-(2-fluorophenyl)-N-prop-2-ynyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine Traditional Name: [5-(2-fluorophenyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]-propargyl-amine Formula: C19H13F4N3 MolecularWeight: 359.320233

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC2=C(C=C(C=C2)C(F)(F)F)C(=NC1)C3=CC=CC=C3F

Isomeric SMILES

C#CCNC1=NC2=C(C=C(C=C2)C(F)(F)F)C(=NC1)C3=CC=CC=C3F

InChI

InChI=1S/C19H13F4N3/c1-2-9-24-17-11-25-18(13-5-3-4-6-15(13)20)14-10-12(19(21,22)23)7-8-16(14)26-17/h1,3-8,10H,9,11H2,(H,24,26)