(3S)-3-(2-methyl-1H-indol-3-yl)-2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-isoindol-1-one

Systemtic Name: (3S)-3-(2-methyl-1H-indol-3-yl)-2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-isoindol-1-one Openeye Name: (3S)-3-(2-methyl-1H-indol-3-yl)-2-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]isoindolin-1-one CAS Name: (3S)-3-(2-methyl-1H-indol-3-yl)-2-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-3H-isoindol-1-one IUPAC Name: (3S)-3-(2-methyl-1H-indol-3-yl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-isoindol-1-one Traditional Name: (3S)-2-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-3-(2-methyl-1H-indol-3-yl)isoindolin-1-one Formula: C28H27N5O2 MolecularWeight: 465.54628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C3C4=CC=CC=C4C(=O)N3CC(=O)N5CCN(CC5)C6=CC=CC=N6

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H]3C4=CC=CC=C4C(=O)N3CC(=O)N5CCN(CC5)C6=CC=CC=N6

InChI

InChI=1S/C28H27N5O2/c1-19-26(22-10-4-5-11-23(22)30-19)27-20-8-2-3-9-21(20)28(35)33(27)18-25(34)32-16-14-31(15-17-32)24-12-6-7-13-29-24/h2-13,27,30H,14-18H2,1H3/t27-/m0/s1