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

Systemtic Name: ethyl (E)-2-cyano-3-[2-[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylhydrazinyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-(3-isopentyl-4-oxo-phthalazine-1-carbonyl)hydrazino]prop-2-enoate CAS Name: (E)-2-cyano-3-[[[3-(3-methylbutyl)-4-oxo-1-phthalazinyl]-oxomethyl]hydrazo]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-[3-(3-methylbutyl)-4-oxophthalazine-1-carbonyl]hydrazinyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[N'-(3-isoamyl-4-keto-phthalazine-1-carbonyl)hydrazino]acrylic acid ethyl ester Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O4/c1-4-29-20(28)14(11-21)12-22-23-18(26)17-15-7-5-6-8-16(15)19(27)25(24-17)10-9-13(2)3/h5-8,12-13,22H,4,9-10H2,1-3H3,(H,23,26)/b14-12+