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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-(1-ethylbenzotriazol-5-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-(1-ethylbenzotriazole-5-carbonyl)isonipecotamide Formula: C21H21ClFN5O2 MolecularWeight: 429.875143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl)N=N1

InChI

InChI=1S/C21H21ClFN5O2/c1-2-28-19-6-3-14(11-18(19)25-26-28)21(30)27-9-7-13(8-10-27)20(29)24-15-4-5-17(23)16(22)12-15/h3-6,11-13H,2,7-10H2,1H3,(H,24,29)