N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-chloranyl-4-(trifluoromethyl)pyrimidine-5-carboxamide

Systemtic Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-chloranyl-4-(trifluoromethyl)pyrimidine-5-carboxamide Openeye Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide CAS Name: N-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-2-chloro-4-(trifluoromethyl)-5-pyrimidinecarboxamide IUPAC Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide Traditional Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide Formula: C16H10ClF3N8O MolecularWeight: 422.75181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CN3C=C(C=N3)NC(=O)C4=CN=C(N=C4C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CN3C=C(C=N3)NC(=O)C4=CN=C(N=C4C(F)(F)F)Cl

InChI

InChI=1S/C16H10ClF3N8O/c17-15-21-6-10(13(24-15)16(18,19)20)14(29)23-9-5-22-27(7-9)8-28-12-4-2-1-3-11(12)25-26-28/h1-7H,8H2,(H,23,29)