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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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