1-[4-[[2-(isoquinolin-3-ylamino)pyridin-4-yl]methyl]piperazin-1-yl]-2-phenylmethoxy-ethanone

Systemtic Name: 1-[4-[[2-(isoquinolin-3-ylamino)pyridin-4-yl]methyl]piperazin-1-yl]-2-phenylmethoxy-ethanone Openeye Name: 2-benzyloxy-1-[4-[[2-(3-isoquinolylamino)-4-pyridyl]methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[2-(3-isoquinolinylamino)-4-pyridinyl]methyl]-1-piperazinyl]-2-phenylmethoxyethanone IUPAC Name: 1-[4-[[2-(isoquinolin-3-ylamino)pyridin-4-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[4-[[2-(3-isoquinolylamino)-4-pyridyl]methyl]piperazino]ethanone Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=NC=C2)NC3=CC4=CC=CC=C4C=N3)C(=O)COCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC(=NC=C2)NC3=CC4=CC=CC=C4C=N3)C(=O)COCC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2/c34-28(21-35-20-22-6-2-1-3-7-22)33-14-12-32(13-15-33)19-23-10-11-29-26(16-23)31-27-17-24-8-4-5-9-25(24)18-30-27/h1-11,16-18H,12-15,19-21H2,(H,29,30,31)