azepan-1-yl-[6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]methanone

Systemtic Name: azepan-1-yl-[6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]methanone Openeye Name: azepan-1-yl-[6-phenyl-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridin-4-yl]methanone CAS Name: 1-azepanyl-[6-phenyl-1-(pyridin-4-ylmethyl)-4-pyrazolo[3,4-b]pyridinyl]methanone IUPAC Name: azepan-1-yl-[6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]methanone Traditional Name: azepan-1-yl-[6-phenyl-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridin-4-yl]methanone Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=NC3=C2C=NN3CC4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=NC3=C2C=NN3CC4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O/c31-25(29-14-6-1-2-7-15-29)21-16-23(20-8-4-3-5-9-20)28-24-22(21)17-27-30(24)18-19-10-12-26-13-11-19/h3-5,8-13,16-17H,1-2,6-7,14-15,18H2