(3S)-N-cyano-3-[3-[(1,4-dimethylindol-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]hexanamide

Systemtic Name: (3S)-N-cyano-3-[3-[(1,4-dimethylindol-3-yl)methyl]-2-oxidanylidene-benzimidazol-1-yl]hexanamide Openeye Name: (3S)-N-cyano-3-[3-[(1,4-dimethylindol-3-yl)methyl]-2-oxo-benzimidazol-1-yl]hexanamide CAS Name: (3S)-N-cyano-3-[3-[(1,4-dimethyl-3-indolyl)methyl]-2-oxo-1-benzimidazolyl]hexanamide IUPAC Name: (3S)-N-cyano-3-[3-[(1,4-dimethylindol-3-yl)methyl]-2-oxobenzimidazol-1-yl]hexanamide Traditional Name: (3S)-N-cyano-3-[3-[(1,4-dimethylindol-3-yl)methyl]-2-keto-benzimidazol-1-yl]hexanamide Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)NC#N)N1C2=CC=CC=C2N(C1=O)CC3=CN(C4=CC=CC(=C43)C)C

Isomeric SMILES

CCC[C@@H](CC(=O)NC#N)N1C2=CC=CC=C2N(C1=O)CC3=CN(C4=CC=CC(=C43)C)C

InChI

InChI=1S/C25H27N5O2/c1-4-8-19(13-23(31)27-16-26)30-21-11-6-5-10-20(21)29(25(30)32)15-18-14-28(3)22-12-7-9-17(2)24(18)22/h5-7,9-12,14,19H,4,8,13,15H2,1-3H3,(H,27,31)/t19-/m0/s1