1-chloranyl-N-(2-cyanoethyl)-N-methyl-isoquinoline-3-carboxamide

Systemtic Name: 1-chloranyl-N-(2-cyanoethyl)-N-methyl-isoquinoline-3-carboxamide Openeye Name: 1-chloro-N-(2-cyanoethyl)-N-methyl-isoquinoline-3-carboxamide CAS Name: 1-chloro-N-(2-cyanoethyl)-N-methyl-3-isoquinolinecarboxamide IUPAC Name: 1-chloro-N-(2-cyanoethyl)-N-methylisoquinoline-3-carboxamide Traditional Name: 1-chloro-N-(2-cyanoethyl)-N-methyl-isoquinoline-3-carboxamide Formula: C14H12ClN3O MolecularWeight: 273.71758

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)C1=CC2=CC=CC=C2C(=N1)Cl

Isomeric SMILES

CN(CCC#N)C(=O)C1=CC2=CC=CC=C2C(=N1)Cl

InChI

InChI=1S/C14H12ClN3O/c1-18(8-4-7-16)14(19)12-9-10-5-2-3-6-11(10)13(15)17-12/h2-3,5-6,9H,4,8H2,1H3