2-[5-[1-[(2-azanyl-2-methyl-propanoyl)amino]-4,4-bis(fluoranyl)-4-phenyl-butyl]-1,2,4-triazol-1-yl]ethyl 2-fluoranylpyrrolidine-1-carboxylate

Systemtic Name: 2-[5-[1-[(2-azanyl-2-methyl-propanoyl)amino]-4,4-bis(fluoranyl)-4-phenyl-butyl]-1,2,4-triazol-1-yl]ethyl 2-fluoranylpyrrolidine-1-carboxylate Openeye Name: 2-[5-[1-[(2-amino-2-methyl-propanoyl)amino]-4,4-difluoro-4-phenyl-butyl]-1,2,4-triazol-1-yl]ethyl 2-fluoropyrrolidine-1-carboxylate CAS Name: 2-fluoro-1-pyrrolidinecarboxylic acid 2-[5-[1-[(2-amino-2-methyl-1-oxopropyl)amino]-4,4-difluoro-4-phenylbutyl]-1,2,4-triazol-1-yl]ethyl ester IUPAC Name: 2-[5-[1-[(2-amino-2-methylpropanoyl)amino]-4,4-difluoro-4-phenylbutyl]-1,2,4-triazol-1-yl]ethyl 2-fluoropyrrolidine-1-carboxylate Traditional Name: 2-fluoropyrrolidine-1-carboxylic acid 2-[5-[1-[(2-amino-2-methyl-propanoyl)amino]-4,4-difluoro-4-phenyl-butyl]-1,2,4-triazol-1-yl]ethyl ester Formula: C23H31F3N6O3 MolecularWeight: 496.52585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CCC(C1=CC=CC=C1)(F)F)C2=NC=NN2CCOC(=O)N3CCCC3F)N

Isomeric SMILES

CC(C)(C(=O)NC(CCC(C1=CC=CC=C1)(F)F)C2=NC=NN2CCOC(=O)N3CCCC3F)N

InChI

InChI=1S/C23H31F3N6O3/c1-22(2,27)20(33)30-17(10-11-23(25,26)16-7-4-3-5-8-16)19-28-15-29-32(19)13-14-35-21(34)31-12-6-9-18(31)24/h3-5,7-8,15,17-18H,6,9-14,27H2,1-2H3,(H,30,33)