1-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-3-ethyl-4-(phenylcarbonyl)piperazin-2-one ethanoate

Systemtic Name: 1-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-3-ethyl-4-(phenylcarbonyl)piperazin-2-one ethanoate Openeye Name: 4-benzoyl-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-piperazin-2-one acetate CAS Name: 4-benzoyl-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-2-piperazinone acetate IUPAC Name: 4-benzoyl-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethylpiperazin-2-one acetate Traditional Name: 4-benzoyl-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-ethyl-piperazin-2-one acetate Formula: C25H27ClN3O4- MolecularWeight: 468.95258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CCN1C(=O)C2=CC=CC=C2)CCC3=CNC4=C3C=C(C=C4)Cl.CC(=O)[O-]

Isomeric SMILES

CCC1C(=O)N(CCN1C(=O)C2=CC=CC=C2)CCC3=CNC4=C3C=C(C=C4)Cl.CC(=O)[O-]

InChI

InChI=1S/C23H24ClN3O2.C2H4O2/c1-2-21-23(29)26(12-13-27(21)22(28)16-6-4-3-5-7-16)11-10-17-15-25-20-9-8-18(24)14-19(17)20;1-2(3)4/h3-9,14-15,21,25H,2,10-13H2,1H3;1H3,(H,3,4)/p-1