4-[4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione

Systemtic Name: 4-[4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione Openeye Name: 4-[4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperazin-1-yl]-2-[(1R)-1-(2-thienyl)ethyl]isoindoline-1,3-dione CAS Name: 4-[4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-1-piperazinyl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione IUPAC Name: 4-[4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperazin-1-yl]-2-[(1R)-1-thiophen-2-ylethyl]isoindole-1,3-dione Traditional Name: 4-[4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperazino]-2-[(1R)-1-(2-thienyl)ethyl]isoindoline-1,3-quinone Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC=CN5C6=CC=CC=N6

Isomeric SMILES

C[C@H](C1=CC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC=CN5C6=CC=CC=N6

InChI

InChI=1S/C28H27N5O2S/c1-20(24-10-6-18-36-24)33-27(34)22-8-4-9-23(26(22)28(33)35)31-16-14-30(15-17-31)19-21-7-5-13-32(21)25-11-2-3-12-29-25/h2-13,18,20H,14-17,19H2,1H3/t20-/m1/s1