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

Systemtic Name: 4-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-(3-cyclohexyl-1-oxopropyl)-1-piperazinyl]-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(3-cyclohexylpropanoyl)piperazino]-2-(3-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=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)CCC(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CN=CC=C5

InChI

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