N-(3-chloranyl-4-fluoranyl-phenyl)-1-(1-methylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-(1-methylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-[(1-methyl-5-benzotriazolyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-(1-methylbenzotriazole-5-carbonyl)isonipecotamide Formula: C20H19ClFN5O2 MolecularWeight: 415.848563

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl)N=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl)N=N1

InChI

InChI=1S/C20H19ClFN5O2/c1-26-18-5-2-13(10-17(18)24-25-26)20(29)27-8-6-12(7-9-27)19(28)23-14-3-4-16(22)15(21)11-14/h2-5,10-12H,6-9H2,1H3,(H,23,28)