azepan-1-yl-[1,3-dimethyl-4-[(4-methylphenyl)amino]pyrazolo[3,4-b]pyridin-5-yl]methanone

Systemtic Name: azepan-1-yl-[1,3-dimethyl-4-[(4-methylphenyl)amino]pyrazolo[3,4-b]pyridin-5-yl]methanone Openeye Name: azepan-1-yl-[1,3-dimethyl-4-(4-methylanilino)pyrazolo[3,4-b]pyridin-5-yl]methanone CAS Name: 1-azepanyl-[1,3-dimethyl-4-(4-methylanilino)-5-pyrazolo[3,4-b]pyridinyl]methanone IUPAC Name: azepan-1-yl-[1,3-dimethyl-4-(4-methylanilino)pyrazolo[3,4-b]pyridin-5-yl]methanone Traditional Name: azepan-1-yl-[1,3-dimethyl-4-(p-toluidino)pyrazolo[3,4-b]pyridin-5-yl]methanone Formula: C22H27N5O MolecularWeight: 377.48268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C3C(=NN(C3=NC=C2C(=O)N4CCCCCC4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C3C(=NN(C3=NC=C2C(=O)N4CCCCCC4)C)C

InChI

InChI=1S/C22H27N5O/c1-15-8-10-17(11-9-15)24-20-18(22(28)27-12-6-4-5-7-13-27)14-23-21-19(20)16(2)25-26(21)3/h8-11,14H,4-7,12-13H2,1-3H3,(H,23,24)