2-(8-bromanyloctyl)isoindole-1,3-dione; 2-(8-piperidin-1-yloctyl)isoindole-1,3-dione

Systemtic Name: 2-(8-bromanyloctyl)isoindole-1,3-dione; 2-(8-piperidin-1-yloctyl)isoindole-1,3-dione Openeye Name: 2-(8-bromooctyl)isoindoline-1,3-dione; 2-[8-(1-piperidyl)octyl]isoindoline-1,3-dione CAS Name: 2-(8-bromooctyl)isoindole-1,3-dione; 2-[8-(1-piperidinyl)octyl]isoindole-1,3-dione IUPAC Name: 2-(8-bromooctyl)isoindole-1,3-dione; 2-(8-piperidin-1-yloctyl)isoindole-1,3-dione Traditional Name: 2-(8-bromooctyl)isoindoline-1,3-quinone; 2-(8-piperidinooctyl)isoindoline-1,3-quinone Formula: C37H50BrN3O4 MolecularWeight: 680.7146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCCCCCN2C(=O)C3=CC=CC=C3C2=O.C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCCBr

Isomeric SMILES

C1CCN(CC1)CCCCCCCCN2C(=O)C3=CC=CC=C3C2=O.C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCCBr

InChI

InChI=1S/C21H30N2O2.C16H20BrNO2/c24-20-18-12-6-7-13-19(18)21(25)23(20)17-11-4-2-1-3-8-14-22-15-9-5-10-16-22;17-11-7-3-1-2-4-8-12-18-15(19)13-9-5-6-10-14(13)16(18)20/h6-7,12-13H,1-5,8-11,14-17H2;5-6,9-10H,1-4,7-8,11-12H2