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

Systemtic Name: N'-(isoquinolin-3-ylmethyl)-N'-[(3-methylpyridin-2-yl)methyl]butane-1,4-diamine Openeye Name: N'-(3-isoquinolylmethyl)-N'-[(3-methyl-2-pyridyl)methyl]butane-1,4-diamine CAS Name: N'-(3-isoquinolinylmethyl)-N'-[(3-methyl-2-pyridinyl)methyl]butane-1,4-diamine IUPAC Name: N'-(isoquinolin-3-ylmethyl)-N'-[(3-methylpyridin-2-yl)methyl]butane-1,4-diamine Traditional Name: 4-aminobutyl-(3-isoquinolylmethyl)-[(3-methyl-2-pyridyl)methyl]amine Formula: C21H26N4 MolecularWeight: 334.45794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CN(CCCCN)CC2=CC3=CC=CC=C3C=N2

Isomeric SMILES

CC1=C(N=CC=C1)CN(CCCCN)CC2=CC3=CC=CC=C3C=N2

InChI

InChI=1S/C21H26N4/c1-17-7-6-11-23-21(17)16-25(12-5-4-10-22)15-20-13-18-8-2-3-9-19(18)14-24-20/h2-3,6-9,11,13-14H,4-5,10,12,15-16,22H2,1H3