(2S)-2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamide

Systemtic Name: (2S)-2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamide Openeye Name: (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)acetamide CAS Name: (2S)-2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)acetamide IUPAC Name: (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)acetamide Traditional Name: (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(2,4-dimethoxyphenyl)-2-(3-fluorophenyl)acetamide Formula: C30H27FN6O4 MolecularWeight: 554.571583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C(C2=CC(=CC=C2)F)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC(=CC=C2)F)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4)OC

InChI

InChI=1S/C30H27FN6O4/c1-40-23-12-13-25(27(16-23)41-2)33-30(39)29(21-8-5-9-22(31)15-21)36(18-20-7-6-14-32-17-20)28(38)19-37-26-11-4-3-10-24(26)34-35-37/h3-17,29H,18-19H2,1-2H3,(H,33,39)/t29-/m0/s1