1,6-dimethyl-4-(4-phenethylpiperazin-1-yl)carbonyl-2H-pyrazolo[3,4-b]pyridin-3-one

Systemtic Name: 1,6-dimethyl-4-(4-phenethylpiperazin-1-yl)carbonyl-2H-pyrazolo[3,4-b]pyridin-3-one Openeye Name: 1,6-dimethyl-4-(4-phenethylpiperazine-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one CAS Name: 1,6-dimethyl-4-[oxo-(4-phenethyl-1-piperazinyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-one IUPAC Name: 1,6-dimethyl-4-(4-phenethylpiperazine-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one Traditional Name: 1,6-dimethyl-4-(4-phenethylpiperazine-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-3-one Formula: C21H25N5O2 MolecularWeight: 379.4555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)C(=O)N3CCN(CC3)CCC4=CC=CC=C4)C(=O)NN2C

Isomeric SMILES

CC1=NC2=C(C(=C1)C(=O)N3CCN(CC3)CCC4=CC=CC=C4)C(=O)NN2C

InChI

InChI=1S/C21H25N5O2/c1-15-14-17(18-19(22-15)24(2)23-20(18)27)21(28)26-12-10-25(11-13-26)9-8-16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3,(H,23,27)