2-[1-(4-cyclohexylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(4-cyclohexylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-benzyl-2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[1-(4-cyclohexyl-1-piperazinyl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(4-cyclohexylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[1-benzyl-2-(4-cyclohexylpiperazino)-2-keto-ethyl]isoindoline-1,3-quinone Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H31N3O3/c31-25-22-13-7-8-14-23(22)26(32)30(25)24(19-20-9-3-1-4-10-20)27(33)29-17-15-28(16-18-29)21-11-5-2-6-12-21/h1,3-4,7-10,13-14,21,24H,2,5-6,11-12,15-19H2