6,6-dibutyl-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-b][1,4]diazepine-5,7-dione

Systemtic Name: 6,6-dibutyl-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-b][1,4]diazepine-5,7-dione Openeye Name: 6,6-dibutyl-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-b][1,4]diazepine-5,7-dione CAS Name: 6,6-dibutyl-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-b][1,4]diazepine-5,7-dione IUPAC Name: 6,6-dibutyl-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-b][1,4]diazepine-5,7-dione Traditional Name: 6,6-dibutyl-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-b][1,4]diazepine-5,7-quinone Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)NC2=C(NN(C2=NC1=O)C3=CC=CC=C3)C)CCCC

Isomeric SMILES

CCCCC1(C(=O)NC2=C(NN(C2=NC1=O)C3=CC=CC=C3)C)CCCC

InChI

InChI=1S/C21H28N4O2/c1-4-6-13-21(14-7-5-2)19(26)22-17-15(3)24-25(18(17)23-20(21)27)16-11-9-8-10-12-16/h8-12,24H,4-7,13-14H2,1-3H3,(H,22,26)