N-[5-tert-butyl-1-methyl-2-[[(2S)-oxolan-2-yl]methyl]pyrazol-3-ylidene]-5-chloranyl-2-methoxy-benzamide

Systemtic Name: N-[5-tert-butyl-1-methyl-2-[[(2S)-oxolan-2-yl]methyl]pyrazol-3-ylidene]-5-chloranyl-2-methoxy-benzamide Openeye Name: N-[5-tert-butyl-1-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrazol-3-ylidene]-5-chloro-2-methoxy-benzamide CAS Name: N-[5-tert-butyl-1-methyl-2-[[(2S)-2-oxolanyl]methyl]-3-pyrazolylidene]-5-chloro-2-methoxybenzamide IUPAC Name: N-[5-tert-butyl-1-methyl-2-[[(2S)-oxolan-2-yl]methyl]pyrazol-3-ylidene]-5-chloro-2-methoxybenzamide Traditional Name: N-[5-tert-butyl-1-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]-3-pyrazolin-3-ylidene]-5-chloro-2-methoxy-benzamide Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=O)C2=C(C=CC(=C2)Cl)OC)N(N1C)CC3CCCO3

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=O)C2=C(C=CC(=C2)Cl)OC)N(N1C)C[C@@H]3CCCO3

InChI

InChI=1S/C21H28ClN3O3/c1-21(2,3)18-12-19(25(24(18)4)13-15-7-6-10-28-15)23-20(26)16-11-14(22)8-9-17(16)27-5/h8-9,11-12,15H,6-7,10,13H2,1-5H3/t15-/m0/s1