3-(azepan-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide; ethanedioic acid

Systemtic Name: 3-(azepan-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide; ethanedioic acid Openeye Name: 3-(azepan-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide; oxalic acid CAS Name: 3-(1-azepanyl)-N-[3-(trifluoromethyl)phenyl]propanamide; oxalic acid IUPAC Name: 3-(azepan-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide; oxalic acid Traditional Name: 3-(azepan-1-yl)-N-[3-(trifluoromethyl)phenyl]propionamide; oxalic acid Formula: C18H23F3N2O5 MolecularWeight: 404.38083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(=O)NC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCC(=O)NC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H21F3N2O.C2H2O4/c17-16(18,19)13-6-5-7-14(12-13)20-15(22)8-11-21-9-3-1-2-4-10-21;3-1(4)2(5)6/h5-7,12H,1-4,8-11H2,(H,20,22);(H,3,4)(H,5,6)