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

Systemtic Name: 4-[[2-(isoquinolin-3-ylamino)pyridin-4-yl]methyl]piperazine-1-carboxamide Openeye Name: 4-[[2-(3-isoquinolylamino)-4-pyridyl]methyl]piperazine-1-carboxamide CAS Name: 4-[[2-(3-isoquinolinylamino)-4-pyridinyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-[[2-(isoquinolin-3-ylamino)pyridin-4-yl]methyl]piperazine-1-carboxamide Traditional Name: 4-[[2-(3-isoquinolylamino)-4-pyridyl]methyl]piperazine-1-carboxamide Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O/c21-20(27)26-9-7-25(8-10-26)14-15-5-6-22-18(11-15)24-19-12-16-3-1-2-4-17(16)13-23-19/h1-6,11-13H,7-10,14H2,(H2,21,27)(H,22,23,24)