2-[(4-bromophenyl)methyl]-1-butyl-6-methyl-pyrazolo[3,4-b]pyridin-3-one

Systemtic Name: 2-[(4-bromophenyl)methyl]-1-butyl-6-methyl-pyrazolo[3,4-b]pyridin-3-one Openeye Name: 2-[(4-bromophenyl)methyl]-1-butyl-6-methyl-pyrazolo[3,4-b]pyridin-3-one CAS Name: 2-[(4-bromophenyl)methyl]-1-butyl-6-methyl-3-pyrazolo[3,4-b]pyridinone IUPAC Name: 2-[(4-bromophenyl)methyl]-1-butyl-6-methylpyrazolo[3,4-b]pyridin-3-one Traditional Name: 2-(4-bromobenzyl)-1-butyl-6-methyl-pyrazolo[3,4-b]pyridin-3-one Formula: C18H20BrN3O MolecularWeight: 374.2749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=N2)C)C(=O)N1CC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCN1C2=C(C=CC(=N2)C)C(=O)N1CC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H20BrN3O/c1-3-4-11-21-17-16(10-5-13(2)20-17)18(23)22(21)12-14-6-8-15(19)9-7-14/h5-10H,3-4,11-12H2,1-2H3