(2S)-1-[2-[[2-methyl-4-(2-methyl-4-pyridin-3-yl-imidazol-1-yl)butan-2-yl]amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[2-[[2-methyl-4-(2-methyl-4-pyridin-3-yl-imidazol-1-yl)butan-2-yl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-[[1,1-dimethyl-3-[2-methyl-4-(3-pyridyl)imidazol-1-yl]propyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[2-[[2-methyl-4-[2-methyl-4-(3-pyridinyl)-1-imidazolyl]butan-2-yl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[2-[[2-methyl-4-(2-methyl-4-pyridin-3-ylimidazol-1-yl)butan-2-yl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-[[1,1-dimethyl-3-[2-methyl-4-(3-pyridyl)imidazol-1-yl]propyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CCC(C)(C)NCC(=O)N2CCCC2C#N)C3=CN=CC=C3

Isomeric SMILES

CC1=NC(=CN1CCC(C)(C)NCC(=O)N2CCC[C@H]2C#N)C3=CN=CC=C3

InChI

InChI=1S/C21H28N6O/c1-16-25-19(17-6-4-9-23-13-17)15-26(16)11-8-21(2,3)24-14-20(28)27-10-5-7-18(27)12-22/h4,6,9,13,15,18,24H,5,7-8,10-11,14H2,1-3H3/t18-/m0/s1