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

Systemtic Name: N,N-diethyl-4-[[2-(isoquinolin-3-ylamino)pyridin-4-yl]methyl]piperazine-1-carboxamide Openeye Name: N,N-diethyl-4-[[2-(3-isoquinolylamino)-4-pyridyl]methyl]piperazine-1-carboxamide CAS Name: N,N-diethyl-4-[[2-(3-isoquinolinylamino)-4-pyridinyl]methyl]-1-piperazinecarboxamide IUPAC Name: N,N-diethyl-4-[[2-(isoquinolin-3-ylamino)pyridin-4-yl]methyl]piperazine-1-carboxamide Traditional Name: N,N-diethyl-4-[[2-(3-isoquinolylamino)-4-pyridyl]methyl]piperazine-1-carboxamide Formula: C24H30N6O MolecularWeight: 418.5346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O/c1-3-29(4-2)24(31)30-13-11-28(12-14-30)18-19-9-10-25-22(15-19)27-23-16-20-7-5-6-8-21(20)17-26-23/h5-10,15-17H,3-4,11-14,18H2,1-2H3,(H,25,26,27)