N-(1-azanyl-1-oxidanylidene-3-pyridin-3-yl-propan-2-yl)-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-3-pyridin-3-yl-propan-2-yl)-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide Openeye Name: N-[2-amino-2-oxo-1-(3-pyridylmethyl)ethyl]-2-(4-pyridyl)-1H-benzimidazole-4-carboxamide CAS Name: N-[1-amino-1-oxo-3-(3-pyridinyl)propan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide IUPAC Name: N-(1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl)-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide Traditional Name: N-[2-amino-2-keto-1-(3-pyridylmethyl)ethyl]-2-(4-pyridyl)-1H-benzimidazole-4-carboxamide Formula: C21H18N6O2 MolecularWeight: 386.40662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)NC(=N2)C3=CC=NC=C3)C(=O)NC(CC4=CN=CC=C4)C(=O)N

Isomeric SMILES

C1=CC(=C2C(=C1)NC(=N2)C3=CC=NC=C3)C(=O)NC(CC4=CN=CC=C4)C(=O)N

InChI

InChI=1S/C21H18N6O2/c22-19(28)17(11-13-3-2-8-24-12-13)26-21(29)15-4-1-5-16-18(15)27-20(25-16)14-6-9-23-10-7-14/h1-10,12,17H,11H2,(H2,22,28)(H,25,27)(H,26,29)