N3-[(3-isoquinolin-4-ylphenyl)methyl]-6-methyl-pyridine-2,3-diamine

Systemtic Name: N3-[(3-isoquinolin-4-ylphenyl)methyl]-6-methyl-pyridine-2,3-diamine Openeye Name: N3-[[3-(4-isoquinolyl)phenyl]methyl]-6-methyl-pyridine-2,3-diamine CAS Name: N3-[[3-(4-isoquinolinyl)phenyl]methyl]-6-methylpyridine-2,3-diamine IUPAC Name: 3-N-[(3-isoquinolin-4-ylphenyl)methyl]-6-methylpyridine-2,3-diamine Traditional Name: (2-amino-6-methyl-3-pyridyl)-[3-(4-isoquinolyl)benzyl]amine Formula: C22H20N4 MolecularWeight: 340.421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)NCC2=CC=CC(=C2)C3=CN=CC4=CC=CC=C43)N

Isomeric SMILES

CC1=NC(=C(C=C1)NCC2=CC=CC(=C2)C3=CN=CC4=CC=CC=C43)N

InChI

InChI=1S/C22H20N4/c1-15-9-10-21(22(23)26-15)25-12-16-5-4-7-17(11-16)20-14-24-13-18-6-2-3-8-19(18)20/h2-11,13-14,25H,12H2,1H3,(H2,23,26)