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

Systemtic Name: 1-[4-[[2-(isoquinolin-3-ylamino)pyridin-4-yl]methyl]piperazin-1-yl]-2-oxidanyl-ethanone Openeye Name: 2-hydroxy-1-[4-[[2-(3-isoquinolylamino)-4-pyridyl]methyl]piperazin-1-yl]ethanone CAS Name: 2-hydroxy-1-[4-[[2-(3-isoquinolinylamino)-4-pyridinyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 2-hydroxy-1-[4-[[2-(isoquinolin-3-ylamino)pyridin-4-yl]methyl]piperazin-1-yl]ethanone Traditional Name: 2-hydroxy-1-[4-[[2-(3-isoquinolylamino)-4-pyridyl]methyl]piperazino]ethanone Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2/c27-15-21(28)26-9-7-25(8-10-26)14-16-5-6-22-19(11-16)24-20-12-17-3-1-2-4-18(17)13-23-20/h1-6,11-13,27H,7-10,14-15H2,(H,22,23,24)