7-(1-adamantylcarbonylamino)-4-methyl-9-oxidanylidene-pyrazolo[5,1-b]quinazoline-2-carboxylic acid

Systemtic Name: 7-(1-adamantylcarbonylamino)-4-methyl-9-oxidanylidene-pyrazolo[5,1-b]quinazoline-2-carboxylic acid Openeye Name: 7-(adamantane-1-carbonylamino)-4-methyl-9-oxo-pyrazolo[5,1-b]quinazoline-2-carboxylic acid CAS Name: 7-[[1-adamantyl(oxo)methyl]amino]-4-methyl-9-oxo-2-pyrazolo[5,1-b]quinazolinecarboxylic acid IUPAC Name: 7-(adamantane-1-carbonylamino)-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid Traditional Name: 7-(adamantane-1-carbonylamino)-9-keto-4-methyl-pyrazolo[5,1-b]quinazoline-2-carboxylic acid Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)N6C1=CC(=N6)C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)N6C1=CC(=N6)C(=O)O

InChI

InChI=1S/C23H24N4O4/c1-26-18-3-2-15(7-16(18)20(28)27-19(26)8-17(25-27)21(29)30)24-22(31)23-9-12-4-13(10-23)6-14(5-12)11-23/h2-3,7-8,12-14H,4-6,9-11H2,1H3,(H,24,31)(H,29,30)