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

Systemtic Name: N-[3-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=C(C(=CC=C3)Cl)N4C=NC=N4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=C(C(=CC=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C21H18ClN5O2/c1-14(28)26-10-9-15-5-2-3-6-16(15)19(26)11-20(29)25-18-8-4-7-17(22)21(18)27-13-23-12-24-27/h2-10,12-13,19H,11H2,1H3,(H,25,29)