ethanoic acid; 4-[[[4-(3-methylphenyl)carbonylpyridin-2-yl]amino]methyl]benzenecarboximidamide

Systemtic Name: ethanoic acid; 4-[[[4-(3-methylphenyl)carbonylpyridin-2-yl]amino]methyl]benzenecarboximidamide Openeye Name: acetic acid; 4-[[[4-(3-methylbenzoyl)-2-pyridyl]amino]methyl]benzamidine CAS Name: acetic acid; 4-[[[4-[(3-methylphenyl)-oxomethyl]-2-pyridinyl]amino]methyl]benzenecarboximidamide IUPAC Name: acetic acid; 4-[[[4-(3-methylbenzoyl)pyridin-2-yl]amino]methyl]benzenecarboximidamide Traditional Name: acetic acid; 4-[[(4-m-toluoyl-2-pyridyl)amino]methyl]benzamidine Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2=CC(=NC=C2)NCC3=CC=C(C=C3)C(=N)N.CC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2=CC(=NC=C2)NCC3=CC=C(C=C3)C(=N)N.CC(=O)O

InChI

InChI=1S/C21H20N4O.C2H4O2/c1-14-3-2-4-17(11-14)20(26)18-9-10-24-19(12-18)25-13-15-5-7-16(8-6-15)21(22)23;1-2(3)4/h2-12H,13H2,1H3,(H3,22,23)(H,24,25);1H3,(H,3,4)