N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[5-(trifluoromethyl)-2-pyridyl]isonipecotamide Formula: C21H22F3N3O3 MolecularWeight: 421.41289

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)OC1

InChI

InChI=1S/C21H22F3N3O3/c22-21(23,24)15-2-5-19(25-13-15)27-8-6-14(7-9-27)20(28)26-16-3-4-17-18(12-16)30-11-1-10-29-17/h2-5,12-14H,1,6-11H2,(H,26,28)