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

Systemtic Name: 7-[(4-tert-butylphenyl)carbonylamino]-4-methyl-9-oxidanylidene-pyrazolo[5,1-b]quinazoline-2-carboxylic acid Openeye Name: 7-[(4-tert-butylbenzoyl)amino]-4-methyl-9-oxo-pyrazolo[5,1-b]quinazoline-2-carboxylic acid CAS Name: 7-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-methyl-9-oxo-2-pyrazolo[5,1-b]quinazolinecarboxylic acid IUPAC Name: 7-[(4-tert-butylbenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid Traditional Name: 7-[(4-tert-butylbenzoyl)amino]-9-keto-4-methyl-pyrazolo[5,1-b]quinazoline-2-carboxylic acid Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(C4=CC(=NN4C3=O)C(=O)O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(C4=CC(=NN4C3=O)C(=O)O)C

InChI

InChI=1S/C23H22N4O4/c1-23(2,3)14-7-5-13(6-8-14)20(28)24-15-9-10-18-16(11-15)21(29)27-19(26(18)4)12-17(25-27)22(30)31/h5-12H,1-4H3,(H,24,28)(H,30,31)