ethyl 4-[3-(3-chlorophenyl)-1-(5-methylfuran-2-yl)prop-2-ynyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(3-chlorophenyl)-1-(5-methylfuran-2-yl)prop-2-ynyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(3-chlorophenyl)-1-(5-methyl-2-furyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[3-(3-chlorophenyl)-1-(5-methyl-2-furanyl)prop-2-ynyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-chlorophenyl)-1-(5-methylfuran-2-yl)prop-2-ynyl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-chlorophenyl)-1-(5-methyl-2-furyl)prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C#CC2=CC(=CC=C2)Cl)C3=CC=C(O3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C#CC2=CC(=CC=C2)Cl)C3=CC=C(O3)C

InChI

InChI=1S/C21H23ClN2O3/c1-3-26-21(25)24-13-11-23(12-14-24)19(20-10-7-16(2)27-20)9-8-17-5-4-6-18(22)15-17/h4-7,10,15,19H,3,11-14H2,1-2H3