3-methyl-7-(4-methylphenyl)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylic acid

Systemtic Name: 3-methyl-7-(4-methylphenyl)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylic acid Openeye Name: 3-methyl-1-phenyl-7-(p-tolyl)-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylic acid CAS Name: 3-methyl-7-(4-methylphenyl)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylic acid IUPAC Name: 3-methyl-7-(4-methylphenyl)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylic acid Traditional Name: 3-methyl-1-phenyl-7-(p-tolyl)-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylic acid Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=NN3C4=CC=CC=C4)C)N=C(C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C(=NN3C4=CC=CC=C4)C)N=C(C2)C(=O)O

InChI

InChI=1S/C21H18N4O2/c1-13-8-10-15(11-9-13)17-12-18(21(26)27)22-19-14(2)24-25(20(19)23-17)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,26,27)