1-(1-ethylbenzotriazol-5-yl)carbonyl-N-(3-fluorophenyl)piperidine-4-carboxamide

Systemtic Name: 1-(1-ethylbenzotriazol-5-yl)carbonyl-N-(3-fluorophenyl)piperidine-4-carboxamide Openeye Name: 1-(1-ethylbenzotriazole-5-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide CAS Name: 1-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-N-(3-fluorophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(1-ethylbenzotriazole-5-carbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide Traditional Name: 1-(1-ethylbenzotriazole-5-carbonyl)-N-(3-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(=CC=C4)F)N=N1

Isomeric SMILES

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

InChI

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