N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]ethanamide

Systemtic Name: N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]ethanamide Openeye Name: N-[3-[[6-(3-cyanophenyl)-8-isoquinolyl]amino]propyl]acetamide CAS Name: N-[3-[[6-(3-cyanophenyl)-8-isoquinolinyl]amino]propyl]acetamide IUPAC Name: N-[3-[[6-(3-cyanophenyl)isoquinolin-8-yl]amino]propyl]acetamide Traditional Name: N-[3-[[6-(3-cyanophenyl)-8-isoquinolyl]amino]propyl]acetamide Formula: C21H20N4O MolecularWeight: 344.4097

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCNC1=C2C=NC=CC2=CC(=C1)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(=O)NCCCNC1=C2C=NC=CC2=CC(=C1)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H20N4O/c1-15(26)24-7-3-8-25-21-12-19(11-18-6-9-23-14-20(18)21)17-5-2-4-16(10-17)13-22/h2,4-6,9-12,14,25H,3,7-8H2,1H3,(H,24,26)