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

Systemtic Name: methyl 3-methyl-7-(4-methylphenyl)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylate Openeye Name: methyl 3-methyl-1-phenyl-7-(p-tolyl)-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylate CAS Name: 3-methyl-7-(4-methylphenyl)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-7-(4-methylphenyl)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylate Traditional Name: 3-methyl-1-phenyl-7-(p-tolyl)-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylic acid methyl ester Formula: C22H20N4O2 MolecularWeight: 372.4198

Click to see the large picture

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O2/c1-14-9-11-16(12-10-14)18-13-19(22(27)28-3)23-20-15(2)25-26(21(20)24-18)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3