N-[2-(1-azanylisoquinolin-7-yl)oxyethyl]-1-pyridin-4-yl-piperidine-4-carboxamide

Systemtic Name: N-[2-(1-azanylisoquinolin-7-yl)oxyethyl]-1-pyridin-4-yl-piperidine-4-carboxamide Openeye Name: N-[2-[(1-amino-7-isoquinolyl)oxy]ethyl]-1-(4-pyridyl)piperidine-4-carboxamide CAS Name: N-[2-[(1-amino-7-isoquinolinyl)oxy]ethyl]-1-pyridin-4-yl-4-piperidinecarboxamide IUPAC Name: N-[2-(1-aminoisoquinolin-7-yl)oxyethyl]-1-pyridin-4-ylpiperidine-4-carboxamide Traditional Name: N-[2-[(1-amino-7-isoquinolyl)oxy]ethyl]-1-(4-pyridyl)isonipecotamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCOC2=CC3=C(C=C2)C=CN=C3N)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCCOC2=CC3=C(C=C2)C=CN=C3N)C4=CC=NC=C4

InChI

InChI=1S/C22H25N5O2/c23-21-20-15-19(2-1-16(20)3-10-25-21)29-14-11-26-22(28)17-6-12-27(13-7-17)18-4-8-24-9-5-18/h1-5,8-10,15,17H,6-7,11-14H2,(H2,23,25)(H,26,28)