N-(4-azanylbutyl)-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]benzamide

Systemtic Name: N-(4-azanylbutyl)-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]benzamide Openeye Name: N-(4-aminobutyl)-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]benzamide CAS Name: N-(4-aminobutyl)-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]benzamide IUPAC Name: N-(4-aminobutyl)-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]benzamide Traditional Name: N-(4-aminobutyl)-4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]benzamide Formula: C20H27N7O MolecularWeight: 381.47468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CC2=NC=CN2)CC3=NC=CN3)C(=O)NCCCCN

Isomeric SMILES

C1=CC(=CC=C1CN(CC2=NC=CN2)CC3=NC=CN3)C(=O)NCCCCN

InChI

InChI=1S/C20H27N7O/c21-7-1-2-8-26-20(28)17-5-3-16(4-6-17)13-27(14-18-22-9-10-23-18)15-19-24-11-12-25-19/h3-6,9-12H,1-2,7-8,13-15,21H2,(H,22,23)(H,24,25)(H,26,28)