ethyl 3-azanylidene-3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoate

Systemtic Name: ethyl 3-azanylidene-3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoate Openeye Name: ethyl 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-3-imino-propanoate CAS Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-3-iminopropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-3-iminopropanoate Traditional Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]-3-imino-propionic acid ethyl ester Formula: C15H18ClF3N4O2 MolecularWeight: 378.77723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=N)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)CC(=N)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C15H18ClF3N4O2/c1-2-25-13(24)8-12(20)22-3-5-23(6-4-22)14-11(16)7-10(9-21-14)15(17,18)19/h7,9,20H,2-6,8H2,1H3