3-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C4CCCCC4)C

InChI

InChI=1S/C24H25N5O4/c1-14-15(2)29(16-8-4-3-5-9-16)22(19(14)12-25)26-20(30)13-28-23(31)18-11-7-6-10-17(18)21(27-28)24(32)33/h6-7,10-11,16H,3-5,8-9,13H2,1-2H3,(H,26,30)(H,32,33)