N-[2-(azepan-1-yl)phenyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)NC3=CC=CC=C3N4CCCCCC4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)NC3=CC=CC=C3N4CCCCCC4)C

InChI

InChI=1S/C21H25N5O/c1-15-17-13-16(14-22-20(17)25(2)24-15)21(27)23-18-9-5-6-10-19(18)26-11-7-3-4-8-12-26/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,23,27)