N'-[(3,5-dimethylpyridin-2-yl)methyl]-N'-(isoquinolin-1-ylmethyl)butane-1,4-diamine

Systemtic Name: N'-[(3,5-dimethylpyridin-2-yl)methyl]-N'-(isoquinolin-1-ylmethyl)butane-1,4-diamine Openeye Name: N'-[(3,5-dimethyl-2-pyridyl)methyl]-N'-(1-isoquinolylmethyl)butane-1,4-diamine CAS Name: N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(1-isoquinolinylmethyl)butane-1,4-diamine IUPAC Name: N'-[(3,5-dimethylpyridin-2-yl)methyl]-N'-(isoquinolin-1-ylmethyl)butane-1,4-diamine Traditional Name: 4-aminobutyl-[(3,5-dimethyl-2-pyridyl)methyl]-(1-isoquinolylmethyl)amine Formula: C22H28N4 MolecularWeight: 348.48452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1)CN(CCCCN)CC2=NC=CC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(N=C1)CN(CCCCN)CC2=NC=CC3=CC=CC=C32)C

InChI

InChI=1S/C22H28N4/c1-17-13-18(2)21(25-14-17)15-26(12-6-5-10-23)16-22-20-8-4-3-7-19(20)9-11-24-22/h3-4,7-9,11,13-14H,5-6,10,12,15-16,23H2,1-2H3