N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3,5-bis(trifluoromethyl)benzamide Formula: C21H22F6N2OS MolecularWeight: 464.467599

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CSC=C3

InChI

InChI=1S/C21H22F6N2OS/c22-20(23,24)16-9-15(10-17(11-16)21(25,26)27)19(30)28-12-18(14-5-8-31-13-14)29-6-3-1-2-4-7-29/h5,8-11,13,18H,1-4,6-7,12H2,(H,28,30)