N-[(2S)-1-[[(2S)-2,3-bis(oxidanyl)propyl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]-1-[(4-cyano-2-fluoranyl-phenyl)methyl]indazole-3-carboxamide

Systemtic Name: N-[(2S)-1-[[(2S)-2,3-bis(oxidanyl)propyl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]-1-[(4-cyano-2-fluoranyl-phenyl)methyl]indazole-3-carboxamide Openeye Name: 1-[(4-cyano-2-fluoro-phenyl)methyl]-N-[(1S)-1-[[(2S)-2,3-dihydroxypropyl]carbamoyl]-2,2-dimethyl-propyl]indazole-3-carboxamide CAS Name: 1-[(4-cyano-2-fluorophenyl)methyl]-N-[(2S)-1-[[(2S)-2,3-dihydroxypropyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-3-indazolecarboxamide IUPAC Name: 1-[(4-cyano-2-fluorophenyl)methyl]-N-[(2S)-1-[[(2S)-2,3-dihydroxypropyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide Traditional Name: 1-(4-cyano-2-fluoro-benzyl)-N-[(1S)-1-[[(2S)-2,3-dihydroxypropyl]carbamoyl]-2,2-dimethyl-propyl]indazole-3-carboxamide Formula: C25H28FN5O4 MolecularWeight: 481.519323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NCC(CO)O)NC(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)NC[C@@H](CO)O)NC(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C25H28FN5O4/c1-25(2,3)22(24(35)28-12-17(33)14-32)29-23(34)21-18-6-4-5-7-20(18)31(30-21)13-16-9-8-15(11-27)10-19(16)26/h4-10,17,22,32-33H,12-14H2,1-3H3,(H,28,35)(H,29,34)/t17-,22+/m0/s1