1-chloranyl-N-propyl-isoquinoline-3-carboxamide

Systemtic Name: 1-chloranyl-N-propyl-isoquinoline-3-carboxamide Openeye Name: 1-chloro-N-propyl-isoquinoline-3-carboxamide CAS Name: 1-chloro-N-propyl-3-isoquinolinecarboxamide IUPAC Name: 1-chloro-N-propylisoquinoline-3-carboxamide Traditional Name: 1-chloro-N-propyl-isoquinoline-3-carboxamide Formula: C13H13ClN2O MolecularWeight: 248.70812

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=CC=CC=C2C(=N1)Cl

Isomeric SMILES

CCCNC(=O)C1=CC2=CC=CC=C2C(=N1)Cl

InChI

InChI=1S/C13H13ClN2O/c1-2-7-15-13(17)11-8-9-5-3-4-6-10(9)12(14)16-11/h3-6,8H,2,7H2,1H3,(H,15,17)