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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1,3,6-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1,3,6-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1,3,6-trimethyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1,3,6-trimethyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC3=C2C(=NN3C)C)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC3=C2C(=NN3C)C)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H29N5O3S/c1-15-9-10-18(14-20(15)32(30,31)28-11-7-5-6-8-12-28)25-23(29)19-13-16(2)24-22-21(19)17(3)26-27(22)4/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,25,29)