4-[[2-(isoquinolin-3-ylamino)pyridin-4-yl]methyl]-N-methyl-piperazine-1-carboxamide

Systemtic Name: 4-[[2-(isoquinolin-3-ylamino)pyridin-4-yl]methyl]-N-methyl-piperazine-1-carboxamide Openeye Name: 4-[[2-(3-isoquinolylamino)-4-pyridyl]methyl]-N-methyl-piperazine-1-carboxamide CAS Name: 4-[[2-(3-isoquinolinylamino)-4-pyridinyl]methyl]-N-methyl-1-piperazinecarboxamide IUPAC Name: 4-[[2-(isoquinolin-3-ylamino)pyridin-4-yl]methyl]-N-methylpiperazine-1-carboxamide Traditional Name: 4-[[2-(3-isoquinolylamino)-4-pyridyl]methyl]-N-methyl-piperazine-1-carboxamide Formula: C21H24N6O MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O/c1-22-21(28)27-10-8-26(9-11-27)15-16-6-7-23-19(12-16)25-20-13-17-4-2-3-5-18(17)14-24-20/h2-7,12-14H,8-11,15H2,1H3,(H,22,28)(H,23,24,25)