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

Systemtic Name: 1-(1-ethylbenzotriazol-5-yl)carbonyl-N-(3-fluoranyl-4-methyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-(1-ethylbenzotriazole-5-carbonyl)-N-(3-fluoro-4-methyl-phenyl)piperidine-4-carboxamide CAS Name: 1-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-N-(3-fluoro-4-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(1-ethylbenzotriazole-5-carbonyl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(1-ethylbenzotriazole-5-carbonyl)-N-(3-fluoro-4-methyl-phenyl)isonipecotamide Formula: C22H24FN5O2 MolecularWeight: 409.456663

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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)C)F)N=N1

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN5O2/c1-3-28-20-7-5-16(12-19(20)25-26-28)22(30)27-10-8-15(9-11-27)21(29)24-17-6-4-14(2)18(23)13-17/h4-7,12-13,15H,3,8-11H2,1-2H3,(H,24,29)