(phenylmethyl) N-[3-oxidanylidene-2-(6-phenylpyridazin-3-yl)-1H-pyrazol-4-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-oxidanylidene-2-(6-phenylpyridazin-3-yl)-1H-pyrazol-4-yl]carbamate Openeye Name: benzyl N-[3-oxo-2-(6-phenylpyridazin-3-yl)-1H-pyrazol-4-yl]carbamate CAS Name: N-[3-oxo-2-(6-phenyl-3-pyridazinyl)-1H-pyrazol-4-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-oxo-2-(6-phenylpyridazin-3-yl)-1H-pyrazol-4-yl]carbamate Traditional Name: N-[5-keto-1-(6-phenylpyridazin-3-yl)-3-pyrazolin-4-yl]carbamic acid benzyl ester Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CNN(C2=O)C3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CNN(C2=O)C3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O3/c27-20-18(23-21(28)29-14-15-7-3-1-4-8-15)13-22-26(20)19-12-11-17(24-25-19)16-9-5-2-6-10-16/h1-13,22H,14H2,(H,23,28)