1-isoquinolin-5-yl-N-pteridin-4-yl-piperidine-4-carboxamide

Systemtic Name: 1-isoquinolin-5-yl-N-pteridin-4-yl-piperidine-4-carboxamide Openeye Name: 1-(5-isoquinolyl)-N-pteridin-4-yl-piperidine-4-carboxamide CAS Name: 1-(5-isoquinolinyl)-N-(4-pteridinyl)-4-piperidinecarboxamide IUPAC Name: 1-isoquinolin-5-yl-N-pteridin-4-ylpiperidine-4-carboxamide Traditional Name: 1-(5-isoquinolyl)-N-pteridin-4-yl-isonipecotamide Formula: C21H19N7O MolecularWeight: 385.42186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC=NC3=NC=CN=C32)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC=NC3=NC=CN=C32)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C21H19N7O/c29-21(27-20-18-19(25-13-26-20)24-9-8-23-18)14-5-10-28(11-6-14)17-3-1-2-15-12-22-7-4-16(15)17/h1-4,7-9,12-14H,5-6,10-11H2,(H,24,25,26,27,29)