4-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-(2-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-(3-cyclohexyl-1-oxopropyl)-1-piperazinyl]-2-(2-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(3-cyclohexylpropanoyl)piperazino]-2-(2-pyridylmethyl)isoindoline-1,3-quinone Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)CCC(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=N5

InChI

InChI=1S/C27H32N4O3/c32-24(13-12-20-7-2-1-3-8-20)30-17-15-29(16-18-30)23-11-6-10-22-25(23)27(34)31(26(22)33)19-21-9-4-5-14-28-21/h4-6,9-11,14,20H,1-3,7-8,12-13,15-19H2