tert-butyl N-[(1S)-1-[2-(6-chloranylpyridazin-3-yl)pyrazol-3-yl]-2-phenyl-ethyl]carbamate

Systemtic Name: tert-butyl N-[(1S)-1-[2-(6-chloranylpyridazin-3-yl)pyrazol-3-yl]-2-phenyl-ethyl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[2-(6-chloropyridazin-3-yl)pyrazol-3-yl]-2-phenyl-ethyl]carbamate CAS Name: N-[(1S)-1-[2-(6-chloro-3-pyridazinyl)-3-pyrazolyl]-2-phenylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S)-1-[2-(6-chloropyridazin-3-yl)pyrazol-3-yl]-2-phenylethyl]carbamate Traditional Name: N-[(1S)-1-[2-(6-chloropyridazin-3-yl)pyrazol-3-yl]-2-phenyl-ethyl]carbamic acid tert-butyl ester Formula: C20H22ClN5O2 MolecularWeight: 399.87398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2=CC=NN2C3=NN=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C2=CC=NN2C3=NN=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN5O2/c1-20(2,3)28-19(27)23-15(13-14-7-5-4-6-8-14)16-11-12-22-26(16)18-10-9-17(21)24-25-18/h4-12,15H,13H2,1-3H3,(H,23,27)/t15-/m0/s1