4-[(3S)-1-[2-cyclooctyl-1,3-bis(oxidanylidene)isoindol-4-yl]piperidin-3-yl]carbonylpiperazine-1-carbaldehyde

Systemtic Name: 4-[(3S)-1-[2-cyclooctyl-1,3-bis(oxidanylidene)isoindol-4-yl]piperidin-3-yl]carbonylpiperazine-1-carbaldehyde Openeye Name: 4-[(3S)-1-(2-cyclooctyl-1,3-dioxo-isoindolin-4-yl)piperidine-3-carbonyl]piperazine-1-carbaldehyde CAS Name: 4-[[(3S)-1-(2-cyclooctyl-1,3-dioxo-4-isoindolyl)-3-piperidinyl]-oxomethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[(3S)-1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)piperidine-3-carbonyl]piperazine-1-carbaldehyde Traditional Name: 4-[(3S)-1-(2-cyclooctyl-1,3-diketo-isoindolin-4-yl)nipecotoyl]piperazine-1-carbaldehyde Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCCC(C4)C(=O)N5CCN(CC5)C=O

Isomeric SMILES

C1CCCC(CCC1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC[C@@H](C4)C(=O)N5CCN(CC5)C=O

InChI

InChI=1S/C27H36N4O4/c32-19-28-14-16-29(17-15-28)25(33)20-8-7-13-30(18-20)23-12-6-11-22-24(23)27(35)31(26(22)34)21-9-4-2-1-3-5-10-21/h6,11-12,19-21H,1-5,7-10,13-18H2/t20-/m0/s1