2-bromanyl-5-methoxy-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide

Systemtic Name: 2-bromanyl-5-methoxy-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Openeye Name: 2-bromo-5-methoxy-N-[5-(1-piperidyl)-8-isoquinolyl]benzamide CAS Name: 2-bromo-5-methoxy-N-[5-(1-piperidinyl)-8-isoquinolinyl]benzamide IUPAC Name: 2-bromo-5-methoxy-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide Traditional Name: 2-bromo-5-methoxy-N-(5-piperidino-8-isoquinolyl)benzamide Formula: C22H22BrN3O2 MolecularWeight: 440.33298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

InChI

InChI=1S/C22H22BrN3O2/c1-28-15-5-6-19(23)17(13-15)22(27)25-20-7-8-21(26-11-3-2-4-12-26)16-9-10-24-14-18(16)20/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,27)