5-nitro-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl]benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-[1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl]benzothiophene-2-carboxamide Formula: C20H17F3N4O3S MolecularWeight: 450.43419

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H17F3N4O3S/c21-20(22,23)13-1-4-18(24-11-13)26-7-5-14(6-8-26)25-19(28)17-10-12-9-15(27(29)30)2-3-16(12)31-17/h1-4,9-11,14H,5-8H2,(H,25,28)