methyl 1-[(4-chlorophenyl)methyl]-2-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]benzimidazole-5-carboxylate

Systemtic Name: methyl 1-[(4-chlorophenyl)methyl]-2-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]benzimidazole-5-carboxylate Openeye Name: methyl 1-[(4-chlorophenyl)methyl]-2-[2-oxo-2-(4-pyridylmethylamino)ethyl]benzimidazole-5-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-2-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-chlorophenyl)methyl]-2-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzimidazole-5-carboxylate Traditional Name: 1-(4-chlorobenzyl)-2-[2-keto-2-(4-pyridylmethylamino)ethyl]benzimidazole-5-carboxylic acid methyl ester Formula: C24H21ClN4O3 MolecularWeight: 448.90154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=N2)CC(=O)NCC3=CC=NC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=N2)CC(=O)NCC3=CC=NC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H21ClN4O3/c1-32-24(31)18-4-7-21-20(12-18)28-22(29(21)15-17-2-5-19(25)6-3-17)13-23(30)27-14-16-8-10-26-11-9-16/h2-12H,13-15H2,1H3,(H,27,30)