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

Systemtic Name: 5-phenyl-N-prop-2-ynyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine Openeye Name: 5-phenyl-N-prop-2-ynyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine CAS Name: 5-phenyl-N-prop-2-ynyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: 5-phenyl-N-prop-2-ynyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine Traditional Name: [5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]-propargyl-amine Formula: C19H14F3N3 MolecularWeight: 341.32977

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H14F3N3/c1-2-10-23-17-12-24-18(13-6-4-3-5-7-13)15-11-14(19(20,21)22)8-9-16(15)25-17/h1,3-9,11H,10,12H2,(H,23,25)