1-ethyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]benzotriazole-5-carboxamide Formula: C20H20F3N5O MolecularWeight: 403.40091

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCC4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCC4)N=N1

InChI

InChI=1S/C20H20F3N5O/c1-2-28-18-7-5-13(11-16(18)25-26-28)19(29)24-15-12-14(20(21,22)23)6-8-17(15)27-9-3-4-10-27/h5-8,11-12H,2-4,9-10H2,1H3,(H,24,29)