4-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide

Systemtic Name: 4-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Openeye Name: 4-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide CAS Name: 4-[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethoxy]-N-(2,5-dimethyl-1-pyrrolyl)benzamide IUPAC Name: 4-[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Traditional Name: 4-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Formula: C21H24N4O3 MolecularWeight: 380.44026

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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)C3CC3)C

Isomeric SMILES

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OCC(=O)N[C@](C)(C#N)C3CC3)C

InChI

InChI=1S/C21H24N4O3/c1-14-4-5-15(2)25(14)24-20(27)16-6-10-18(11-7-16)28-12-19(26)23-21(3,13-22)17-8-9-17/h4-7,10-11,17H,8-9,12H2,1-3H3,(H,23,26)(H,24,27)/t21-/m1/s1