[1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: 1-(2-pyridylcarbamoyl)propyl 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [1-oxo-1-(2-pyridinylamino)butan-2-yl] ester IUPAC Name: [1-oxo-1-(pyridin-2-ylamino)butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid 1-(2-pyridylcarbamoyl)propyl ester Formula: C23H20N4O3 MolecularWeight: 400.4299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=N1)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=N1)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O3/c1-2-19(22(28)27-20-10-6-7-13-24-20)30-23(29)16-11-12-17-18(14-16)26-21(25-17)15-8-4-3-5-9-15/h3-14,19H,2H2,1H3,(H,25,26)(H,24,27,28)