tert-butyl 3-[4-(3-cyano-5-isocyano-phenoxy)-3,5-diethyl-pyrazol-1-yl]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-(3-cyano-5-isocyano-phenoxy)-3,5-diethyl-pyrazol-1-yl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[4-(3-cyano-5-isocyano-phenoxy)-3,5-diethyl-pyrazol-1-yl]azetidine-1-carboxylate CAS Name: 3-[4-(3-cyano-5-isocyanophenoxy)-3,5-diethyl-1-pyrazolyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(3-cyano-5-isocyanophenoxy)-3,5-diethylpyrazol-1-yl]azetidine-1-carboxylate Traditional Name: 3-[4-(3-cyano-5-isocyano-phenoxy)-3,5-diethyl-pyrazol-1-yl]azetidine-1-carboxylic acid tert-butyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2CN(C2)C(=O)OC(C)(C)C)CC)OC3=CC(=CC(=C3)[N+]#[C-])C#N

Isomeric SMILES

CCC1=C(C(=NN1C2CN(C2)C(=O)OC(C)(C)C)CC)OC3=CC(=CC(=C3)[N+]#[C-])C#N

InChI

InChI=1S/C23H27N5O3/c1-7-19-21(30-18-10-15(12-24)9-16(11-18)25-6)20(8-2)28(26-19)17-13-27(14-17)22(29)31-23(3,4)5/h9-11,17H,7-8,13-14H2,1-5H3