tert-butyl 4-[3-cyclopropyl-6-fluoranyl-2-[2-oxidanylidene-2-(phenylmethoxyamino)ethyl]benzimidazol-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-cyclopropyl-6-fluoranyl-2-[2-oxidanylidene-2-(phenylmethoxyamino)ethyl]benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[2-(benzyloxyamino)-2-oxo-ethyl]-3-cyclopropyl-6-fluoro-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[3-cyclopropyl-6-fluoro-2-[2-oxo-2-(phenylmethoxyamino)ethyl]-5-benzimidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-cyclopropyl-6-fluoro-2-[2-oxo-2-(phenylmethoxyamino)ethyl]benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-(benzoxyamino)-2-keto-ethyl]-3-cyclopropyl-6-fluoro-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H34FN5O4 MolecularWeight: 523.599063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)CC(=O)NOCC4=CC=CC=C4)C5CC5)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)CC(=O)NOCC4=CC=CC=C4)C5CC5)F

InChI

InChI=1S/C28H34FN5O4/c1-28(2,3)38-27(36)33-13-11-32(12-14-33)23-16-24-22(15-21(23)29)30-25(34(24)20-9-10-20)17-26(35)31-37-18-19-7-5-4-6-8-19/h4-8,15-16,20H,9-14,17-18H2,1-3H3,(H,31,35)