3-cyano-N-[(2S)-1-[4-(2-ethanoyl-1-methyl-imidazol-4-yl)-3-fluoranyl-phenyl]-4-oxidanyl-butan-2-yl]-4-propan-2-yloxy-benzamide

Systemtic Name: 3-cyano-N-[(2S)-1-[4-(2-ethanoyl-1-methyl-imidazol-4-yl)-3-fluoranyl-phenyl]-4-oxidanyl-butan-2-yl]-4-propan-2-yloxy-benzamide Openeye Name: N-[(1S)-1-[[4-(2-acetyl-1-methyl-imidazol-4-yl)-3-fluoro-phenyl]methyl]-3-hydroxy-propyl]-3-cyano-4-isopropoxy-benzamide CAS Name: N-[(2S)-1-[4-(2-acetyl-1-methyl-4-imidazolyl)-3-fluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide IUPAC Name: N-[(2S)-1-[4-(2-acetyl-1-methylimidazol-4-yl)-3-fluorophenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide Traditional Name: N-[(1S)-1-[4-(2-acetyl-1-methyl-imidazol-4-yl)-3-fluoro-benzyl]-3-hydroxy-propyl]-3-cyano-4-isopropoxy-benzamide Formula: C27H29FN4O4 MolecularWeight: 492.541963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NC(CCO)CC2=CC(=C(C=C2)C3=CN(C(=N3)C(=O)C)C)F)C#N

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)N[C@H](CCO)CC2=CC(=C(C=C2)C3=CN(C(=N3)C(=O)C)C)F)C#N

InChI

InChI=1S/C27H29FN4O4/c1-16(2)36-25-8-6-19(13-20(25)14-29)27(35)30-21(9-10-33)11-18-5-7-22(23(28)12-18)24-15-32(4)26(31-24)17(3)34/h5-8,12-13,15-16,21,33H,9-11H2,1-4H3,(H,30,35)/t21-/m1/s1