N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=CN=C4C(=C3)C=NN4CC5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=CN=C4C(=C3)C=NN4CC5=CC=CC=C5)OC1

InChI

InChI=1S/C23H20N4O3/c28-23(26-19-7-8-20-21(12-19)30-10-4-9-29-20)18-11-17-14-25-27(22(17)24-13-18)15-16-5-2-1-3-6-16/h1-3,5-8,11-14H,4,9-10,15H2,(H,26,28)