ethyl 4-[1-[2,3-bis(chloranyl)phenyl]-5-methyl-hex-1-yn-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[2,3-bis(chloranyl)phenyl]-5-methyl-hex-1-yn-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-[2-(2,3-dichlorophenyl)ethynyl]-3-methyl-butyl]piperazine-1-carboxylate CAS Name: 4-[1-(2,3-dichlorophenyl)-5-methylhex-1-yn-3-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(2,3-dichlorophenyl)-5-methylhex-1-yn-3-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(2,3-dichlorophenyl)-1-isobutyl-prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H26Cl2N2O2 MolecularWeight: 397.33864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26Cl2N2O2/c1-4-26-20(25)24-12-10-23(11-13-24)17(14-15(2)3)9-8-16-6-5-7-18(21)19(16)22/h5-7,15,17H,4,10-14H2,1-3H3