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

Systemtic Name: 5-cyclohexyl-1-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]indole-2,3-dione Openeye Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-cyclohexyl-indoline-2,3-dione CAS Name: 5-cyclohexyl-1-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]indole-2,3-dione IUPAC Name: 1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-cyclohexylindole-2,3-dione Traditional Name: 1-[2-(4-benzylpiperazino)ethyl]-5-cyclohexyl-isatin Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC3=C(C=C2)N(C(=O)C3=O)CCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=CC3=C(C=C2)N(C(=O)C3=O)CCN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H33N3O2/c31-26-24-19-23(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/h1,3-4,7-8,11-12,19,22H,2,5-6,9-10,13-18,20H2