methyl (E)-2-cyano-3-[6-oxidanylidene-3-phenyl-1-(phenylmethyl)pyridazin-4-yl]prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[6-oxidanylidene-3-phenyl-1-(phenylmethyl)pyridazin-4-yl]prop-2-enoate Openeye Name: methyl (E)-3-(1-benzyl-6-oxo-3-phenyl-pyridazin-4-yl)-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[6-oxo-3-phenyl-1-(phenylmethyl)-4-pyridazinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(1-benzyl-6-oxo-3-phenylpyridazin-4-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-benzyl-6-keto-3-phenyl-pyridazin-4-yl)-2-cyano-acrylic acid methyl ester Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC(=O)N(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)/C(=C/C1=CC(=O)N(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H17N3O3/c1-28-22(27)19(14-23)12-18-13-20(26)25(15-16-8-4-2-5-9-16)24-21(18)17-10-6-3-7-11-17/h2-13H,15H2,1H3/b19-12+