ethanoic acid; 4-[[[4-(phenylcarbonyl)pyridin-2-yl]amino]methyl]benzenecarboximidamide

Systemtic Name: ethanoic acid; 4-[[[4-(phenylcarbonyl)pyridin-2-yl]amino]methyl]benzenecarboximidamide Openeye Name: acetic acid; 4-[[(4-benzoyl-2-pyridyl)amino]methyl]benzamidine CAS Name: acetic acid; 4-[[(4-benzoyl-2-pyridinyl)amino]methyl]benzenecarboximidamide IUPAC Name: acetic acid; 4-[[(4-benzoylpyridin-2-yl)amino]methyl]benzenecarboximidamide Traditional Name: acetic acid; 4-[[(4-benzoyl-2-pyridyl)amino]methyl]benzamidine Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O.C2H4O2/c21-20(22)16-8-6-14(7-9-16)13-24-18-12-17(10-11-23-18)19(25)15-4-2-1-3-5-15;1-2(3)4/h1-12H,13H2,(H3,21,22)(H,23,24);1H3,(H,3,4)