ethyl 4-[1-azanyl-4-(3-chlorophenyl)but-3-yn-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-azanyl-4-(3-chlorophenyl)but-3-yn-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-(aminomethyl)-3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[1-amino-4-(3-chlorophenyl)but-3-yn-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-amino-4-(3-chlorophenyl)but-3-yn-2-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(aminomethyl)-3-(3-chlorophenyl)prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H22ClN3O2 MolecularWeight: 335.82848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3O2/c1-2-23-17(22)21-10-8-20(9-11-21)16(13-19)7-6-14-4-3-5-15(18)12-14/h3-5,12,16H,2,8-11,13,19H2,1H3