[2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-oxo-ethyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [2-[(3-cyano-4,5-dimethyl-2-furanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-keto-ethyl] ester Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(OC(=C1C#N)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H20N4O5/c1-15-16(2)34-23(20(15)12-26)27-21(30)14-33-25(32)22-18-10-6-7-11-19(18)24(31)29(28-22)13-17-8-4-3-5-9-17/h3-11H,13-14H2,1-2H3,(H,27,30)