azocan-1-yl-[1-(phenylmethyl)-4-thiophen-2-yl-pyrazolo[3,4-b]pyridin-3-yl]methanone

Systemtic Name: azocan-1-yl-[1-(phenylmethyl)-4-thiophen-2-yl-pyrazolo[3,4-b]pyridin-3-yl]methanone Openeye Name: azocan-1-yl-[1-benzyl-4-(2-thienyl)pyrazolo[3,4-b]pyridin-3-yl]methanone CAS Name: 1-azocanyl-[1-(phenylmethyl)-4-thiophen-2-yl-3-pyrazolo[3,4-b]pyridinyl]methanone IUPAC Name: azocan-1-yl-(1-benzyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-3-yl)methanone Traditional Name: azocan-1-yl-[1-benzyl-4-(2-thienyl)pyrazolo[3,4-b]pyridin-3-yl]methanone Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2=NN(C3=NC=CC(=C23)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CCC1)C(=O)C2=NN(C3=NC=CC(=C23)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N4OS/c30-25(28-15-7-2-1-3-8-16-28)23-22-20(21-12-9-17-31-21)13-14-26-24(22)29(27-23)18-19-10-5-4-6-11-19/h4-6,9-14,17H,1-3,7-8,15-16,18H2