2-[4-[4-(phenylmethyl)piperazin-1-yl]cyclohexyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(phenylmethyl)piperazin-1-yl]cyclohexyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)cyclohexyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(phenylmethyl)-1-piperazinyl]cyclohexyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)cyclohexyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-benzylpiperazino)cyclohexyl]isoindoline-1,3-quinone Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCN(CC2)CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CC(CCC1N2CCN(CC2)CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H29N3O2/c29-24-22-8-4-5-9-23(22)25(30)28(24)21-12-10-20(11-13-21)27-16-14-26(15-17-27)18-19-6-2-1-3-7-19/h1-9,20-21H,10-18H2