N-[2-(azepan-1-yl)phenyl]-1,3,6-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-1,3,6-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-1,3,6-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-1,3,6-trimethyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-1,3,6-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C)C)C(=C1)C(=O)NC3=CC=CC=C3N4CCCCCC4

Isomeric SMILES

CC1=NC2=C(C(=NN2C)C)C(=C1)C(=O)NC3=CC=CC=C3N4CCCCCC4

InChI

InChI=1S/C22H27N5O/c1-15-14-17(20-16(2)25-26(3)21(20)23-15)22(28)24-18-10-6-7-11-19(18)27-12-8-4-5-9-13-27/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3,(H,24,28)