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

Systemtic Name: 4-[[2-(isoquinolin-3-ylamino)pyridin-4-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[[2-(3-isoquinolylamino)-4-pyridyl]methyl]-N,N-dimethyl-piperazine-1-carboxamide CAS Name: 4-[[2-(3-isoquinolinylamino)-4-pyridinyl]methyl]-N,N-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[[2-(isoquinolin-3-ylamino)pyridin-4-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide Traditional Name: 4-[[2-(3-isoquinolylamino)-4-pyridyl]methyl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O/c1-26(2)22(29)28-11-9-27(10-12-28)16-17-7-8-23-20(13-17)25-21-14-18-5-3-4-6-19(18)15-24-21/h3-8,13-15H,9-12,16H2,1-2H3,(H,23,24,25)