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

Systemtic Name: 5-butyl-1-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]indole-2,3-dione Openeye Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-butyl-indoline-2,3-dione CAS Name: 5-butyl-1-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]indole-2,3-dione IUPAC Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-butylindole-2,3-dione Traditional Name: 1-[2-(4-benzylpiperazino)ethyl]-5-butyl-isatin Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=O)C2=O)CCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=O)C2=O)CCN3CCN(CC3)CC4=CC=CC=C4

InChI

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