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

Systemtic Name: 1-(1-cyclopentylbenzotriazol-5-yl)carbonyl-N-(3-fluoranyl-4-methyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-(1-cyclopentylbenzotriazole-5-carbonyl)-N-(3-fluoro-4-methyl-phenyl)piperidine-4-carboxamide CAS Name: 1-[(1-cyclopentyl-5-benzotriazolyl)-oxomethyl]-N-(3-fluoro-4-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(1-cyclopentylbenzotriazole-5-carbonyl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(1-cyclopentylbenzotriazole-5-carbonyl)-N-(3-fluoro-4-methyl-phenyl)isonipecotamide Formula: C25H28FN5O2 MolecularWeight: 449.520523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)N(N=N4)C5CCCC5)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)N(N=N4)C5CCCC5)F

InChI

InChI=1S/C25H28FN5O2/c1-16-6-8-19(15-21(16)26)27-24(32)17-10-12-30(13-11-17)25(33)18-7-9-23-22(14-18)28-29-31(23)20-4-2-3-5-20/h6-9,14-15,17,20H,2-5,10-13H2,1H3,(H,27,32)