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

Systemtic Name: ethyl 4-[3-(3-chlorophenyl)-1-(2-methylphenyl)prop-2-ynyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(3-chlorophenyl)-1-(o-tolyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[3-(3-chlorophenyl)-1-(2-methylphenyl)prop-2-ynyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-chlorophenyl)-1-(2-methylphenyl)prop-2-ynyl]piperazine-1-carboxylate Traditional Name: 4-[3-(3-chlorophenyl)-1-(o-tolyl)prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H25ClN2O2 MolecularWeight: 396.9098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C#CC2=CC(=CC=C2)Cl)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C#CC2=CC(=CC=C2)Cl)C3=CC=CC=C3C

InChI

InChI=1S/C23H25ClN2O2/c1-3-28-23(27)26-15-13-25(14-16-26)22(21-10-5-4-7-18(21)2)12-11-19-8-6-9-20(24)17-19/h4-10,17,22H,3,13-16H2,1-2H3