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

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]acetamide Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C23H23N5O2/c1-17(29)28-11-10-20-4-2-3-5-21(20)22(28)12-23(30)25-13-18-6-8-19(9-7-18)14-27-16-24-15-26-27/h2-11,15-16,22H,12-14H2,1H3,(H,25,30)