N-(2-azanylpyridin-3-yl)-4-[[(4-methylphenyl)methylcarbamoylamino]methyl]benzamide

Systemtic Name: N-(2-azanylpyridin-3-yl)-4-[[(4-methylphenyl)methylcarbamoylamino]methyl]benzamide Openeye Name: N-(2-amino-3-pyridyl)-4-[(p-tolylmethylcarbamoylamino)methyl]benzamide CAS Name: N-(2-amino-3-pyridinyl)-4-[[[[(4-methylphenyl)methylamino]-oxomethyl]amino]methyl]benzamide IUPAC Name: N-(2-aminopyridin-3-yl)-4-[[(4-methylphenyl)methylcarbamoylamino]methyl]benzamide Traditional Name: N-(2-amino-3-pyridyl)-4-[[(4-methylbenzyl)carbamoylamino]methyl]benzamide Formula: C22H23N5O2 MolecularWeight: 389.45032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)NCC2=CC=C(C=C2)C(=O)NC3=C(N=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)NCC2=CC=C(C=C2)C(=O)NC3=C(N=CC=C3)N

InChI

InChI=1S/C22H23N5O2/c1-15-4-6-16(7-5-15)13-25-22(29)26-14-17-8-10-18(11-9-17)21(28)27-19-3-2-12-24-20(19)23/h2-12H,13-14H2,1H3,(H2,23,24)(H,27,28)(H2,25,26,29)