2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[3-(1,2,3,4-tetrazol-1-yl)phenyl]ethanamide

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[3-(1,2,3,4-tetrazol-1-yl)phenyl]ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-(1-tetrazolyl)phenyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide Formula: C20H18N6O2 MolecularWeight: 374.39592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=CC(=C3)N4C=NN=N4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=CC(=C3)N4C=NN=N4

InChI

InChI=1S/C20H18N6O2/c1-14(27)25-10-9-15-5-2-3-8-18(15)19(25)12-20(28)22-16-6-4-7-17(11-16)26-13-21-23-24-26/h2-11,13,19H,12H2,1H3,(H,22,28)