N-(diphenylmethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-(diphenylmethyl)-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-benzhydryl-1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-(diphenylmethyl)-1-ethyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-benzhydryl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-benzhydryl-1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC=C(C(=C2C=N1)NC3CCOCC3)C(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1C2=NC=C(C(=C2C=N1)NC3CCOCC3)C(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O2/c1-2-32-26-22(18-29-32)25(30-21-13-15-34-16-14-21)23(17-28-26)27(33)31-24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21,24H,2,13-16H2,1H3,(H,28,30)(H,31,33)