1-[3-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-naphthalen-2-yl-ethanone

Systemtic Name: 1-[3-[3-bromanyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-naphthalen-2-yl-ethanone Openeye Name: 1-[3-[3-bromo-7-(3-pyridylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidyl]-2-(2-naphthyl)ethanone CAS Name: 1-[3-[3-bromo-7-(3-pyridinylmethylamino)-5-pyrazolo[1,5-a]pyrimidinyl]-1-piperidinyl]-2-(2-naphthalenyl)ethanone IUPAC Name: 1-[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-naphthalen-2-ylethanone Traditional Name: 1-[3-[3-bromo-7-(3-pyridylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidino]-2-(2-naphthyl)ethanone Formula: C29H27BrN6O MolecularWeight: 555.46828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=CC3=CC=CC=C3C=C2)C4=NC5=C(C=NN5C(=C4)NCC6=CN=CC=C6)Br

Isomeric SMILES

C1CC(CN(C1)C(=O)CC2=CC3=CC=CC=C3C=C2)C4=NC5=C(C=NN5C(=C4)NCC6=CN=CC=C6)Br

InChI

InChI=1S/C29H27BrN6O/c30-25-18-33-36-27(32-17-21-5-3-11-31-16-21)15-26(34-29(25)36)24-8-4-12-35(19-24)28(37)14-20-9-10-22-6-1-2-7-23(22)13-20/h1-3,5-7,9-11,13,15-16,18,24,32H,4,8,12,14,17,19H2