ethyl 4-[1-(2-chloranylpyridin-3-yl)-3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(2-chloranylpyridin-3-yl)-3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(3-chlorophenyl)-1-(2-chloro-3-pyridyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[3-(3-chlorophenyl)-1-(2-chloro-3-pyridinyl)prop-2-ynyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-chlorophenyl)-1-(2-chloropyridin-3-yl)prop-2-ynyl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-chlorophenyl)-1-(2-chloro-3-pyridyl)prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H21Cl2N3O2 MolecularWeight: 418.31634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C#CC2=CC(=CC=C2)Cl)C3=C(N=CC=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C#CC2=CC(=CC=C2)Cl)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C21H21Cl2N3O2/c1-2-28-21(27)26-13-11-25(12-14-26)19(18-7-4-10-24-20(18)23)9-8-16-5-3-6-17(22)15-16/h3-7,10,15,19H,2,11-14H2,1H3