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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1,3-dimethyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NCCN4CCCCCC4)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NCCN4CCCCCC4)C

InChI

InChI=1S/C23H29N5O/c1-17-21-19(23(29)24-12-15-28-13-8-3-4-9-14-28)16-20(18-10-6-5-7-11-18)25-22(21)27(2)26-17/h5-7,10-11,16H,3-4,8-9,12-15H2,1-2H3,(H,24,29)