ethyl 4-[(3-aminocarbonylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate

Systemtic Name: ethyl 4-[(3-aminocarbonylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate Openeye Name: ethyl 4-[(3-carbamoylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate CAS Name: 4-[(3-carbamoyl-1-piperazinyl)methyl]-3-(trifluoromethyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-carbamoylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoate Traditional Name: 4-[(3-carbamoylpiperazino)methyl]-3-(trifluoromethyl)benzoic acid ethyl ester Formula: C16H20F3N3O3 MolecularWeight: 359.34351

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)CN2CCNC(C2)C(=O)N)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)CN2CCNC(C2)C(=O)N)C(F)(F)F

InChI

InChI=1S/C16H20F3N3O3/c1-2-25-15(24)10-3-4-11(12(7-10)16(17,18)19)8-22-6-5-21-13(9-22)14(20)23/h3-4,7,13,21H,2,5-6,8-9H2,1H3,(H2,20,23)