N-[(2S)-heptan-2-yl]-3-[(1R)-1-(1H-indol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]propanamide

Systemtic Name: N-[(2S)-heptan-2-yl]-3-[(1R)-1-(1H-indol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]propanamide Openeye Name: 3-[(1R)-1-(1H-indol-3-yl)-3-oxo-isoindolin-2-yl]-N-[(1S)-1-methylhexyl]propanamide CAS Name: N-[(2S)-heptan-2-yl]-3-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide IUPAC Name: N-[(2S)-heptan-2-yl]-3-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]propanamide Traditional Name: 3-[(1R)-1-(1H-indol-3-yl)-3-keto-isoindolin-2-yl]-N-[(1S)-1-methylhexyl]propionamide Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CCN1C(C2=CC=CC=C2C1=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CCN1[C@H](C2=CC=CC=C2C1=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C26H31N3O2/c1-3-4-5-10-18(2)28-24(30)15-16-29-25(20-12-6-7-13-21(20)26(29)31)22-17-27-23-14-9-8-11-19(22)23/h6-9,11-14,17-18,25,27H,3-5,10,15-16H2,1-2H3,(H,28,30)/t18-,25+/m0/s1