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

Systemtic Name: 4-[4-(azocan-1-ylcarbonyl)piperidin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(azocane-1-carbonyl)-1-piperidyl]-2-(3-thienylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[1-azocanyl(oxo)methyl]-1-piperidinyl]-2-(3-thiophenylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(azocane-1-carbonyl)piperidin-1-yl]-2-(thiophen-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(azocane-1-carbonyl)piperidino]-2-(3-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=CSC=C5

Isomeric SMILES

C1CCCN(CCC1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CSC=C5

InChI

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