N-(2-cyclohexyl-4-oxidanylidene-quinazolin-3-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-(2-cyclohexyl-4-oxidanylidene-quinazolin-3-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(2-cyclohexyl-4-oxo-quinazolin-3-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-(2-cyclohexyl-4-oxo-3-quinazolinyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-(2-cyclohexyl-4-keto-quinazolin-3-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4CCCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4CCCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4/c1-13-19(27(30)31)14(2)25(23-13)12-18(28)24-26-20(15-8-4-3-5-9-15)22-17-11-7-6-10-16(17)21(26)29/h6-7,10-11,15H,3-5,8-9,12H2,1-2H3,(H,24,28)