methanoic acid; N3-[[3-(5-propan-2-yloxypyridin-3-yl)phenyl]methyl]pyridine-2,3-diamine

Systemtic Name: methanoic acid; N3-[[3-(5-propan-2-yloxypyridin-3-yl)phenyl]methyl]pyridine-2,3-diamine Openeye Name: formic acid; N3-[[3-(5-isopropoxy-3-pyridyl)phenyl]methyl]pyridine-2,3-diamine CAS Name: formic acid; N3-[[3-(5-propan-2-yloxy-3-pyridinyl)phenyl]methyl]pyridine-2,3-diamine IUPAC Name: formic acid; 3-N-[[3-(5-propan-2-yloxypyridin-3-yl)phenyl]methyl]pyridine-2,3-diamine Traditional Name: (2-amino-3-pyridyl)-[3-(5-isopropoxy-3-pyridyl)benzyl]amine; formic acid Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CN=CC(=C1)C2=CC(=CC=C2)CNC3=C(N=CC=C3)N.C(=O)O

Isomeric SMILES

CC(C)OC1=CN=CC(=C1)C2=CC(=CC=C2)CNC3=C(N=CC=C3)N.C(=O)O

InChI

InChI=1S/C20H22N4O.CH2O2/c1-14(2)25-18-10-17(12-22-13-18)16-6-3-5-15(9-16)11-24-19-7-4-8-23-20(19)21;2-1-3/h3-10,12-14,24H,11H2,1-2H3,(H2,21,23);1H,(H,2,3)