N-[7-(chloromethyl)isoquinolin-1-yl]benzamide

Systemtic Name: N-[7-(chloromethyl)isoquinolin-1-yl]benzamide Openeye Name: N-[7-(chloromethyl)-1-isoquinolyl]benzamide CAS Name: N-[7-(chloromethyl)-1-isoquinolinyl]benzamide IUPAC Name: N-[7-(chloromethyl)isoquinolin-1-yl]benzamide Traditional Name: N-[7-(chloromethyl)-1-isoquinolyl]benzamide Formula: C17H13ClN2O MolecularWeight: 296.75092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=C(C=C3)CCl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=C(C=C3)CCl

InChI

InChI=1S/C17H13ClN2O/c18-11-12-6-7-13-8-9-19-16(15(13)10-12)20-17(21)14-4-2-1-3-5-14/h1-10H,11H2,(H,19,20,21)