4-[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide

Systemtic Name: 4-[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Openeye Name: 4-[2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide CAS Name: 4-[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]-N-(2,5-dimethyl-1-pyrrolyl)benzamide IUPAC Name: 4-[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Traditional Name: 4-[2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OCC(=O)NC(C)(C#N)C(C)C)C

Isomeric SMILES

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OCC(=O)N[C@](C)(C#N)C(C)C)C

InChI

InChI=1S/C21H26N4O3/c1-14(2)21(5,13-22)23-19(26)12-28-18-10-8-17(9-11-18)20(27)24-25-15(3)6-7-16(25)4/h6-11,14H,12H2,1-5H3,(H,23,26)(H,24,27)/t21-/m1/s1