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

Systemtic Name: azepan-1-yl-(3,6-dicyclopropyl-1-phenyl-pyrazolo[3,4-b]pyridin-4-yl)methanone Openeye Name: azepan-1-yl-(3,6-dicyclopropyl-1-phenyl-pyrazolo[3,4-b]pyridin-4-yl)methanone CAS Name: 1-azepanyl-(3,6-dicyclopropyl-1-phenyl-4-pyrazolo[3,4-b]pyridinyl)methanone IUPAC Name: azepan-1-yl-(3,6-dicyclopropyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)methanone Traditional Name: azepan-1-yl-(3,6-dicyclopropyl-1-phenyl-pyrazolo[3,4-b]pyridin-4-yl)methanone Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=NC3=C2C(=NN3C4=CC=CC=C4)C5CC5)C6CC6

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=NC3=C2C(=NN3C4=CC=CC=C4)C5CC5)C6CC6

InChI

InChI=1S/C25H28N4O/c30-25(28-14-6-1-2-7-15-28)20-16-21(17-10-11-17)26-24-22(20)23(18-12-13-18)27-29(24)19-8-4-3-5-9-19/h3-5,8-9,16-18H,1-2,6-7,10-15H2