N-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide

Systemtic Name: N-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(2-amino-2-oxo-ethoxy)phenyl]acetamide CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(2-amino-2-oxoethoxy)phenyl]acetamide IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(2-amino-2-oxoethoxy)phenyl]acetamide Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(2-amino-2-keto-ethoxy)phenyl]acetamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC(=CC=C3)OCC(=O)N

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)NC3=CC(=CC=C3)OCC(=O)N

InChI

InChI=1S/C21H21N3O4/c1-14(25)24-10-9-15-5-2-3-8-18(15)19(24)12-21(27)23-16-6-4-7-17(11-16)28-13-20(22)26/h2-11,19H,12-13H2,1H3,(H2,22,26)(H,23,27)/t19-/m1/s1