ethyl 4-[3-(3-chlorophenyl)-1-(6-methoxypyridin-3-yl)prop-2-ynyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(3-chlorophenyl)-1-(6-methoxypyridin-3-yl)prop-2-ynyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(3-chlorophenyl)-1-(6-methoxy-3-pyridyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-ynyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-chlorophenyl)-1-(6-methoxypyridin-3-yl)prop-2-ynyl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-chlorophenyl)-1-(6-methoxy-3-pyridyl)prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O3/c1-3-29-22(27)26-13-11-25(12-14-26)20(18-8-10-21(28-2)24-16-18)9-7-17-5-4-6-19(23)15-17/h4-6,8,10,15-16,20H,3,11-14H2,1-2H3