4-[3-(3-chlorophenyl)-1-pyridin-3-yl-prop-2-ynyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[3-(3-chlorophenyl)-1-pyridin-3-yl-prop-2-ynyl]piperazine-1-carboxylic acid Openeye Name: 4-[3-(3-chlorophenyl)-1-(3-pyridyl)prop-2-ynyl]piperazine-1-carboxylic acid CAS Name: 4-[3-(3-chlorophenyl)-1-(3-pyridinyl)prop-2-ynyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[3-(3-chlorophenyl)-1-pyridin-3-ylprop-2-ynyl]piperazine-1-carboxylic acid Traditional Name: 4-[3-(3-chlorophenyl)-1-(3-pyridyl)prop-2-ynyl]piperazine-1-carboxylic acid Formula: C19H18ClN3O2 MolecularWeight: 355.81812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#CC2=CC(=CC=C2)Cl)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C(C#CC2=CC(=CC=C2)Cl)C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C19H18ClN3O2/c20-17-5-1-3-15(13-17)6-7-18(16-4-2-8-21-14-16)22-9-11-23(12-10-22)19(24)25/h1-5,8,13-14,18H,9-12H2,(H,24,25)