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

Systemtic Name: 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-(thiophen-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(azepane-1-carbonyl)-1-piperidyl]-2-(2-thienylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-(thiophen-2-ylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(thiophen-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(azepane-1-carbonyl)piperidino]-2-(2-thenyl)isoindoline-1,3-quinone Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CS5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CS5

InChI

InChI=1S/C25H29N3O3S/c29-23(27-12-3-1-2-4-13-27)18-10-14-26(15-11-18)21-9-5-8-20-22(21)25(31)28(24(20)30)17-19-7-6-16-32-19/h5-9,16,18H,1-4,10-15,17H2