4-[4-(azocan-1-ylcarbonyl)piperidin-1-yl]-2-(thiophen-2-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-(azocan-1-ylcarbonyl)piperidin-1-yl]-2-(thiophen-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(azocane-1-carbonyl)-1-piperidyl]-2-(2-thienylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[1-azocanyl(oxo)methyl]-1-piperidinyl]-2-(thiophen-2-ylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(azocane-1-carbonyl)piperidin-1-yl]-2-(thiophen-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(azocane-1-carbonyl)piperidino]-2-(2-thenyl)isoindoline-1,3-quinone Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CS5

Isomeric SMILES

C1CCCN(CCC1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CS5

InChI

InChI=1S/C26H31N3O3S/c30-24(28-13-4-2-1-3-5-14-28)19-11-15-27(16-12-19)22-10-6-9-21-23(22)26(32)29(25(21)31)18-20-8-7-17-33-20/h6-10,17,19H,1-5,11-16,18H2