N-[2-[[4-azanylbutyl-[(3,5-dimethylpyridin-2-yl)methyl]amino]methyl]pyridin-3-yl]benzamide

Systemtic Name: N-[2-[[4-azanylbutyl-[(3,5-dimethylpyridin-2-yl)methyl]amino]methyl]pyridin-3-yl]benzamide Openeye Name: N-[2-[[4-aminobutyl-[(3,5-dimethyl-2-pyridyl)methyl]amino]methyl]-3-pyridyl]benzamide CAS Name: N-[2-[[4-aminobutyl-[(3,5-dimethyl-2-pyridinyl)methyl]amino]methyl]-3-pyridinyl]benzamide IUPAC Name: N-[2-[[4-aminobutyl-[(3,5-dimethylpyridin-2-yl)methyl]amino]methyl]pyridin-3-yl]benzamide Traditional Name: N-[2-[[4-aminobutyl-[(3,5-dimethyl-2-pyridyl)methyl]amino]methyl]-3-pyridyl]benzamide Formula: C25H31N5O MolecularWeight: 417.54654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1)CN(CCCCN)CC2=C(C=CC=N2)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(N=C1)CN(CCCCN)CC2=C(C=CC=N2)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C25H31N5O/c1-19-15-20(2)23(28-16-19)17-30(14-7-6-12-26)18-24-22(11-8-13-27-24)29-25(31)21-9-4-3-5-10-21/h3-5,8-11,13,15-16H,6-7,12,14,17-18,26H2,1-2H3,(H,29,31)