1-[(4-cyano-2-fluoranyl-phenyl)methyl]-N-[(2S)-1-[2-(cyclopropylcarbonylamino)ethylamino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]indazole-3-carboxamide

Systemtic Name: 1-[(4-cyano-2-fluoranyl-phenyl)methyl]-N-[(2S)-1-[2-(cyclopropylcarbonylamino)ethylamino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]indazole-3-carboxamide Openeye Name: 1-[(4-cyano-2-fluoro-phenyl)methyl]-N-[(1S)-1-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]-2,2-dimethyl-propyl]indazole-3-carboxamide CAS Name: 1-[(4-cyano-2-fluorophenyl)methyl]-N-[(2S)-1-[2-[[cyclopropyl(oxo)methyl]amino]ethylamino]-3,3-dimethyl-1-oxobutan-2-yl]-3-indazolecarboxamide IUPAC Name: 1-[(4-cyano-2-fluorophenyl)methyl]-N-[(2S)-1-[2-(cyclopropanecarbonylamino)ethylamino]-3,3-dimethyl-1-oxobutan-2-yl]indazole-3-carboxamide Traditional Name: 1-(4-cyano-2-fluoro-benzyl)-N-[(1S)-1-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]-2,2-dimethyl-propyl]indazole-3-carboxamide Formula: C28H31FN6O3 MolecularWeight: 518.582543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NCCNC(=O)C1CC1)NC(=O)C2=NN(C3=CC=CC=C32)CC4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)NCCNC(=O)C1CC1)NC(=O)C2=NN(C3=CC=CC=C32)CC4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C28H31FN6O3/c1-28(2,3)24(27(38)32-13-12-31-25(36)18-10-11-18)33-26(37)23-20-6-4-5-7-22(20)35(34-23)16-19-9-8-17(15-30)14-21(19)29/h4-9,14,18,24H,10-13,16H2,1-3H3,(H,31,36)(H,32,38)(H,33,37)/t24-/m1/s1