(3S)-3-(1,2-dimethylindol-3-yl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3H-isoindol-1-one

Systemtic Name: (3S)-3-(1,2-dimethylindol-3-yl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-3H-isoindol-1-one Openeye Name: (3S)-3-(1,2-dimethylindol-3-yl)-2-[2-oxo-2-(1-piperidyl)ethyl]isoindolin-1-one CAS Name: (3S)-3-(1,2-dimethyl-3-indolyl)-2-[2-oxo-2-(1-piperidinyl)ethyl]-3H-isoindol-1-one IUPAC Name: (3S)-3-(1,2-dimethylindol-3-yl)-2-(2-oxo-2-piperidin-1-ylethyl)-3H-isoindol-1-one Traditional Name: (3S)-3-(1,2-dimethylindol-3-yl)-2-(2-keto-2-piperidino-ethyl)isoindolin-1-one Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C3C4=CC=CC=C4C(=O)N3CC(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)[C@@H]3C4=CC=CC=C4C(=O)N3CC(=O)N5CCCCC5

InChI

InChI=1S/C25H27N3O2/c1-17-23(20-12-6-7-13-21(20)26(17)2)24-18-10-4-5-11-19(18)25(30)28(24)16-22(29)27-14-8-3-9-15-27/h4-7,10-13,24H,3,8-9,14-16H2,1-2H3/t24-/m0/s1