[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1H-indazole-6-carboxylate

Systemtic Name: [1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1H-indazole-6-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 1H-indazole-6-carboxylate CAS Name: 1H-indazole-6-carboxylic acid [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate Traditional Name: 1H-indazole-6-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H16FN3O3 MolecularWeight: 341.336343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=CC3=C(C=C2)C=NN3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=CC3=C(C=C2)C=NN3

InChI

InChI=1S/C18H16FN3O3/c1-11(17(23)20-9-12-2-6-15(19)7-3-12)25-18(24)13-4-5-14-10-21-22-16(14)8-13/h2-8,10-11H,9H2,1H3,(H,20,23)(H,21,22)