5-tert-butyl-1-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]indole-2,3-dione dihydrochloride

Systemtic Name: 5-tert-butyl-1-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]indole-2,3-dione dihydrochloride Openeye Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-tert-butyl-indoline-2,3-dione dihydrochloride CAS Name: 5-tert-butyl-1-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]indole-2,3-dione dihydrochloride IUPAC Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-tert-butylindole-2,3-dione dihydrochloride Traditional Name: 1-[2-(4-benzylpiperazino)ethyl]-5-tert-butyl-isatin dihydrochloride Formula: C25H33Cl2N3O2 MolecularWeight: 478.45442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N(C(=O)C2=O)CCN3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N(C(=O)C2=O)CCN3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C25H31N3O2.2ClH/c1-25(2,3)20-9-10-22-21(17-20)23(29)24(30)28(22)16-15-26-11-13-27(14-12-26)18-19-7-5-4-6-8-19;;/h4-10,17H,11-16,18H2,1-3H3;2*1H