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

Systemtic Name: N-but-3-yn-2-yl-5-cyclohexyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine Openeye Name: 5-cyclohexyl-N-(1-methylprop-2-ynyl)-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine CAS Name: N-but-3-yn-2-yl-5-cyclohexyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: N-but-3-yn-2-yl-5-cyclohexyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-amine Traditional Name: [5-cyclohexyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]-(1-methylprop-2-ynyl)amine Formula: C20H22F3N3 MolecularWeight: 361.40399

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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)C3CCCCC3

Isomeric SMILES

CC(C#C)NC1=NC2=C(C=C(C=C2)C(F)(F)F)C(=NC1)C3CCCCC3

InChI

InChI=1S/C20H22F3N3/c1-3-13(2)25-18-12-24-19(14-7-5-4-6-8-14)16-11-15(20(21,22)23)9-10-17(16)26-18/h1,9-11,13-14H,4-8,12H2,2H3,(H,25,26)