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

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C22H21N5O2/c1-16(28)27-11-10-18-4-2-3-5-20(18)21(27)12-22(29)25-19-8-6-17(7-9-19)13-26-15-23-14-24-26/h2-11,14-15,21H,12-13H2,1H3,(H,25,29)