N-butyl-1-chloranyl-isoquinoline-3-carboxamide

Systemtic Name: N-butyl-1-chloranyl-isoquinoline-3-carboxamide Openeye Name: N-butyl-1-chloro-isoquinoline-3-carboxamide CAS Name: N-butyl-1-chloro-3-isoquinolinecarboxamide IUPAC Name: N-butyl-1-chloroisoquinoline-3-carboxamide Traditional Name: N-butyl-1-chloro-isoquinoline-3-carboxamide Formula: C14H15ClN2O MolecularWeight: 262.7347

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN2O/c1-2-3-8-16-14(18)12-9-10-6-4-5-7-11(10)13(15)17-12/h4-7,9H,2-3,8H2,1H3,(H,16,18)