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

Systemtic Name: 5-phenoxy-1-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]indole-2,3-dione dihydrochloride Openeye Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-phenoxy-indoline-2,3-dione dihydrochloride CAS Name: 5-phenoxy-1-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]indole-2,3-dione dihydrochloride IUPAC Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-phenoxyindole-2,3-dione dihydrochloride Traditional Name: 1-[2-(4-benzylpiperazino)ethyl]-5-phenoxy-isatin dihydrochloride Formula: C27H29Cl2N3O3 MolecularWeight: 514.44346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C3=C(C=C(C=C3)OC4=CC=CC=C4)C(=O)C2=O)CC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCN2C3=C(C=C(C=C3)OC4=CC=CC=C4)C(=O)C2=O)CC5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C27H27N3O3.2ClH/c31-26-24-19-23(33-22-9-5-2-6-10-22)11-12-25(24)30(27(26)32)18-17-28-13-15-29(16-14-28)20-21-7-3-1-4-8-21;;/h1-12,19H,13-18,20H2;2*1H