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

Systemtic Name: 5-cyclopentyl-1-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]indole-2,3-dione Openeye Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-cyclopentyl-indoline-2,3-dione CAS Name: 5-cyclopentyl-1-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]indole-2,3-dione IUPAC Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-cyclopentylindole-2,3-dione Traditional Name: 1-[2-(4-benzylpiperazino)ethyl]-5-cyclopentyl-isatin Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=CC3=C(C=C2)N(C(=O)C3=O)CCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)C2=CC3=C(C=C2)N(C(=O)C3=O)CCN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H31N3O2/c30-25-23-18-22(21-8-4-5-9-21)10-11-24(23)29(26(25)31)17-16-27-12-14-28(15-13-27)19-20-6-2-1-3-7-20/h1-3,6-7,10-11,18,21H,4-5,8-9,12-17,19H2