N-isoquinolin-5-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-isoquinolin-5-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-(5-isoquinolyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-(5-isoquinolinyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-isoquinolin-5-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-(5-isoquinolyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C19H15N5O MolecularWeight: 329.3553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C19H15N5O/c25-19(23-18-3-1-2-16-10-20-9-8-17(16)18)15-6-4-14(5-7-15)11-24-13-21-12-22-24/h1-10,12-13H,11H2,(H,23,25)