methyl 4-[[4-(2-phenylazanylpyridin-4-yl)pyridin-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[4-(2-phenylazanylpyridin-4-yl)pyridin-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[4-(2-anilino-4-pyridyl)-2-pyridyl]carbamoyl]benzoate CAS Name: 4-[[[4-(2-anilino-4-pyridinyl)-2-pyridinyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-anilinopyridin-4-yl)pyridin-2-yl]carbamoyl]benzoate Traditional Name: 4-[[4-(2-anilino-4-pyridyl)-2-pyridyl]carbamoyl]benzoic acid methyl ester Formula: C25H20N4O3 MolecularWeight: 424.4513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC=CC(=C2)C3=CC(=NC=C3)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC=CC(=C2)C3=CC(=NC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C25H20N4O3/c1-32-25(31)18-9-7-17(8-10-18)24(30)29-23-16-20(12-14-27-23)19-11-13-26-22(15-19)28-21-5-3-2-4-6-21/h2-16H,1H3,(H,26,28)(H,27,29,30)