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

Systemtic Name: 4-[(3R)-3-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione Openeye Name: 4-[(3R)-3-(azepane-1-carbonyl)-1-piperidyl]-2-[(1R)-1-(2-thienyl)ethyl]isoindoline-1,3-dione CAS Name: 4-[(3R)-3-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione IUPAC Name: 4-[(3R)-3-(azepane-1-carbonyl)piperidin-1-yl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione Traditional Name: 4-[(3R)-3-(azepane-1-carbonyl)piperidino]-2-[(1R)-1-(2-thienyl)ethyl]isoindoline-1,3-quinone Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCCC(C4)C(=O)N5CCCCCC5

Isomeric SMILES

C[C@H](C1=CC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC[C@H](C4)C(=O)N5CCCCCC5

InChI

InChI=1S/C26H31N3O3S/c1-18(22-12-8-16-33-22)29-25(31)20-10-6-11-21(23(20)26(29)32)28-15-7-9-19(17-28)24(30)27-13-4-2-3-5-14-27/h6,8,10-12,16,18-19H,2-5,7,9,13-15,17H2,1H3/t18-,19-/m1/s1