N-[2-[[2-(2-cyano-4-fluoranyl-pyrrolidin-1-yl)-2-oxidanylidene-ethyl]amino]-2-methyl-propyl]-2H-benzotriazole-5-carboxamide

Systemtic Name: N-[2-[[2-(2-cyano-4-fluoranyl-pyrrolidin-1-yl)-2-oxidanylidene-ethyl]amino]-2-methyl-propyl]-2H-benzotriazole-5-carboxamide Openeye Name: N-[2-[[2-(2-cyano-4-fluoro-pyrrolidin-1-yl)-2-oxo-ethyl]amino]-2-methyl-propyl]-2H-benzotriazole-5-carboxamide CAS Name: N-[2-[[2-(2-cyano-4-fluoro-1-pyrrolidinyl)-2-oxoethyl]amino]-2-methylpropyl]-2H-benzotriazole-5-carboxamide IUPAC Name: N-[2-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]-2-methylpropyl]-2H-benzotriazole-5-carboxamide Traditional Name: N-[2-[[2-(2-cyano-4-fluoro-pyrrolidino)-2-keto-ethyl]amino]-2-methyl-propyl]-2H-benzotriazole-5-carboxamide Formula: C18H22FN7O2 MolecularWeight: 387.411383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC2=NNN=C2C=C1)NCC(=O)N3CC(CC3C#N)F

Isomeric SMILES

CC(C)(CNC(=O)C1=CC2=NNN=C2C=C1)NCC(=O)N3CC(CC3C#N)F

InChI

InChI=1S/C18H22FN7O2/c1-18(2,22-8-16(27)26-9-12(19)6-13(26)7-20)10-21-17(28)11-3-4-14-15(5-11)24-25-23-14/h3-5,12-13,22H,6,8-10H2,1-2H3,(H,21,28)(H,23,24,25)