(phenylmethyl) N-(9-cyano-4-oxidanylidene-7,8-diphenyl-pyrimido[1,2-b]pyridazin-3-yl)carbamate

Systemtic Name: (phenylmethyl) N-(9-cyano-4-oxidanylidene-7,8-diphenyl-pyrimido[1,2-b]pyridazin-3-yl)carbamate Openeye Name: benzyl N-(9-cyano-4-oxo-7,8-diphenyl-pyrimido[1,2-b]pyridazin-3-yl)carbamate CAS Name: N-(9-cyano-4-oxo-7,8-diphenyl-3-pyrimido[1,2-b]pyridazinyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(9-cyano-4-oxo-7,8-diphenylpyrimido[1,2-b]pyridazin-3-yl)carbamate Traditional Name: N-(9-cyano-4-keto-7,8-diphenyl-pyrimido[1,2-b]pyridazin-3-yl)carbamic acid benzyl ester Formula: C28H19N5O3 MolecularWeight: 473.48216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CN=C3C(=C(C(=NN3C2=O)C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CN=C3C(=C(C(=NN3C2=O)C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C28H19N5O3/c29-16-22-24(20-12-6-2-7-13-20)25(21-14-8-3-9-15-21)32-33-26(22)30-17-23(27(33)34)31-28(35)36-18-19-10-4-1-5-11-19/h1-15,17H,18H2,(H,31,35)