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

Systemtic Name: N-pent-2-ynyl-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine Openeye Name: N-pent-2-ynyl-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine CAS Name: N-pent-2-ynyl-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: N-pent-2-ynyl-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine Traditional Name: pent-2-ynyl-[5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]amine Formula: C21H18F3N3 MolecularWeight: 369.38293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N3/c1-2-3-7-12-25-19-14-26-20(15-8-5-4-6-9-15)17-13-16(21(22,23)24)10-11-18(17)27-19/h4-6,8-11,13H,2,12,14H2,1H3,(H,25,27)