1-(1-ethylbenzotriazol-5-yl)carbonyl-N-(4-fluorophenyl)piperidine-4-carboxamide

Systemtic Name: 1-(1-ethylbenzotriazol-5-yl)carbonyl-N-(4-fluorophenyl)piperidine-4-carboxamide Openeye Name: 1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide CAS Name: 1-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-N-(4-fluorophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide Traditional Name: 1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-fluorophenyl)isonipecotamide Formula: C21H22FN5O2 MolecularWeight: 395.430083

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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)N=N1

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN5O2/c1-2-27-19-8-3-15(13-18(19)24-25-27)21(29)26-11-9-14(10-12-26)20(28)23-17-6-4-16(22)5-7-17/h3-8,13-14H,2,9-12H2,1H3,(H,23,28)