tert-butyl N-[4-[1-(6-chloranylpyridazin-3-yl)-3-phenyl-pyrazol-4-yl]pyridin-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[1-(6-chloranylpyridazin-3-yl)-3-phenyl-pyrazol-4-yl]pyridin-2-yl]carbamate Openeye Name: tert-butyl N-[4-[1-(6-chloropyridazin-3-yl)-3-phenyl-pyrazol-4-yl]-2-pyridyl]carbamate CAS Name: N-[4-[1-(6-chloro-3-pyridazinyl)-3-phenyl-4-pyrazolyl]-2-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[1-(6-chloropyridazin-3-yl)-3-phenylpyrazol-4-yl]pyridin-2-yl]carbamate Traditional Name: N-[4-[1-(6-chloropyridazin-3-yl)-3-phenyl-pyrazol-4-yl]-2-pyridyl]carbamic acid tert-butyl ester Formula: C23H21ClN6O2 MolecularWeight: 448.90484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=CC(=C1)C2=CN(N=C2C3=CC=CC=C3)C4=NN=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=CC(=C1)C2=CN(N=C2C3=CC=CC=C3)C4=NN=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN6O2/c1-23(2,3)32-22(31)26-19-13-16(11-12-25-19)17-14-30(20-10-9-18(24)27-28-20)29-21(17)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,25,26,31)