N-[4-[2-[4-(3-bromophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-cyano-ethanamide

Systemtic Name: N-[4-[2-[4-(3-bromophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-cyano-ethanamide Openeye Name: N-[4-[2-[4-(3-bromophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-cyano-acetamide CAS Name: N-[4-[2-[4-(3-bromophenyl)-1-piperazinyl]ethyl]cyclohexyl]-2-cyanoacetamide IUPAC Name: N-[4-[2-[4-(3-bromophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide Traditional Name: N-[4-[2-[4-(3-bromophenyl)piperazino]ethyl]cyclohexyl]-2-cyano-acetamide Formula: C21H29BrN4O MolecularWeight: 433.38516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCN2CCN(CC2)C3=CC(=CC=C3)Br)NC(=O)CC#N

Isomeric SMILES

C1CC(CCC1CCN2CCN(CC2)C3=CC(=CC=C3)Br)NC(=O)CC#N

InChI

InChI=1S/C21H29BrN4O/c22-18-2-1-3-20(16-18)26-14-12-25(13-15-26)11-9-17-4-6-19(7-5-17)24-21(27)8-10-23/h1-3,16-17,19H,4-9,11-15H2,(H,24,27)