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

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[4-methyl-3-(1,2,3,4-tetrazol-1-yl)phenyl]ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-methyl-3-(1-tetrazolyl)phenyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)N4C=NN=N4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)N4C=NN=N4

InChI

InChI=1S/C21H20N6O2/c1-14-7-8-17(11-19(14)27-13-22-24-25-27)23-21(29)12-20-18-6-4-3-5-16(18)9-10-26(20)15(2)28/h3-11,13,20H,12H2,1-2H3,(H,23,29)