ethyl (E)-2-cyano-3-[2-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylhydrazinyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[2-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylhydrazinyl]prop-2-enoate Openeye Name: ethyl (E)-3-[2-(3-benzyl-4-oxo-phthalazine-1-carbonyl)hydrazino]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]hydrazo]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-(3-benzyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[N'-(3-benzyl-4-keto-phthalazine-1-carbonyl)hydrazino]-2-cyano-acrylic acid ethyl ester Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H19N5O4/c1-2-31-22(30)16(12-23)13-24-25-20(28)19-17-10-6-7-11-18(17)21(29)27(26-19)14-15-8-4-3-5-9-15/h3-11,13,24H,2,14H2,1H3,(H,25,28)/b16-13+