N-isoquinolin-6-yl-2-[4-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]phenoxy]ethanamide

Systemtic Name: N-isoquinolin-6-yl-2-[4-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]phenoxy]ethanamide Openeye Name: 2-[4-(1-benzyltetrazol-5-yl)phenoxy]-N-(6-isoquinolyl)acetamide CAS Name: N-(6-isoquinolinyl)-2-[4-[1-(phenylmethyl)-5-tetrazolyl]phenoxy]acetamide IUPAC Name: 2-[4-(1-benzyltetrazol-5-yl)phenoxy]-N-isoquinolin-6-ylacetamide Traditional Name: 2-[4-(1-benzyltetrazol-5-yl)phenoxy]-N-(6-isoquinolyl)acetamide Formula: C25H20N6O2 MolecularWeight: 436.4653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC5=C(C=C4)C=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC5=C(C=C4)C=NC=C5

InChI

InChI=1S/C25H20N6O2/c32-24(27-22-9-6-21-15-26-13-12-20(21)14-22)17-33-23-10-7-19(8-11-23)25-28-29-30-31(25)16-18-4-2-1-3-5-18/h1-15H,16-17H2,(H,27,32)