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

Systemtic Name: 5-hexyl-1-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]indole-2,3-dione Openeye Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-hexyl-indoline-2,3-dione CAS Name: 5-hexyl-1-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]indole-2,3-dione IUPAC Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-hexylindole-2,3-dione Traditional Name: 1-[2-(4-benzylpiperazino)ethyl]-5-hexyl-isatin Formula: C27H35N3O2 MolecularWeight: 433.5857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)N(C(=O)C2=O)CCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)N(C(=O)C2=O)CCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O2/c1-2-3-4-6-9-22-12-13-25-24(20-22)26(31)27(32)30(25)19-18-28-14-16-29(17-15-28)21-23-10-7-5-8-11-23/h5,7-8,10-13,20H,2-4,6,9,14-19,21H2,1H3