(3R)-3-(1H-indol-3-yl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-3H-isoindol-1-one

Systemtic Name: (3R)-3-(1H-indol-3-yl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-3H-isoindol-1-one Openeye Name: (3R)-3-(1H-indol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoindolin-1-one CAS Name: (3R)-3-(1H-indol-3-yl)-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3H-isoindol-1-one IUPAC Name: (3R)-3-(1H-indol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3H-isoindol-1-one Traditional Name: (3R)-3-(1H-indol-3-yl)-2-[2-keto-2-(4-phenylpiperazino)ethyl]isoindolin-1-one Formula: C28H26N4O2 MolecularWeight: 450.53164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C(C4=CC=CC=C4C3=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3[C@H](C4=CC=CC=C4C3=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C28H26N4O2/c33-26(31-16-14-30(15-17-31)20-8-2-1-3-9-20)19-32-27(22-11-4-5-12-23(22)28(32)34)24-18-29-25-13-7-6-10-21(24)25/h1-13,18,27,29H,14-17,19H2/t27-/m1/s1