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

Systemtic Name: 1-[4-[[2-(isoquinolin-3-ylamino)pyridin-4-yl]methyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[[2-(3-isoquinolylamino)-4-pyridyl]methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[2-(3-isoquinolinylamino)-4-pyridinyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[[2-(isoquinolin-3-ylamino)pyridin-4-yl]methyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[[2-(3-isoquinolylamino)-4-pyridyl]methyl]piperazino]ethanone Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CC(=NC=C2)NC3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CC(=NC=C2)NC3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C21H23N5O/c1-16(27)26-10-8-25(9-11-26)15-17-6-7-22-20(12-17)24-21-13-18-4-2-3-5-19(18)14-23-21/h2-7,12-14H,8-11,15H2,1H3,(H,22,23,24)