3-ethyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-4-(phenylcarbonyl)piperazin-2-one ethanoate

Systemtic Name: 3-ethyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-4-(phenylcarbonyl)piperazin-2-one ethanoate Openeye Name: 4-benzoyl-3-ethyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]piperazin-2-one acetate CAS Name: 4-benzoyl-3-ethyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-piperazinone acetate IUPAC Name: 4-benzoyl-3-ethyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]piperazin-2-one acetate Traditional Name: 4-benzoyl-3-ethyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]piperazin-2-one acetate Formula: C26H30N3O4- MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2.C2H4O2/c1-3-22-24(29)26(13-14-27(22)23(28)18-7-5-4-6-8-18)12-11-19-16-25-21-15-17(2)9-10-20(19)21;1-2(3)4/h4-10,15-16,22,25H,3,11-14H2,1-2H3;1H3,(H,3,4)/p-1