N-butyl-2-(3-chloranylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-butyl-2-(3-chloranylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-butyl-2-(3-chloropropyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-butyl-2-(3-chloropropyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-butyl-2-(3-chloropropyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-butyl-2-(3-chloropropyl)-1-keto-isoquinoline-4-carboxamide Formula: C17H21ClN2O2 MolecularWeight: 320.81384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN(C(=O)C2=CC=CC=C21)CCCCl

Isomeric SMILES

CCCCNC(=O)C1=CN(C(=O)C2=CC=CC=C21)CCCCl

InChI

InChI=1S/C17H21ClN2O2/c1-2-3-10-19-16(21)15-12-20(11-6-9-18)17(22)14-8-5-4-7-13(14)15/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,19,21)