methyl 2-(2-chloroethyl)-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate

Systemtic Name: methyl 2-(2-chloroethyl)-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate Openeye Name: methyl 2-(2-chloroethyl)-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate CAS Name: 2-(2-chloroethyl)-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-chloroethyl)-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-(2-chloroethyl)-3-[4-(2-cyanophenyl)benzyl]benzimidazole-4-carboxylic acid methyl ester Formula: C25H20ClN3O2 MolecularWeight: 429.8982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)CCCl

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)CCCl

InChI

InChI=1S/C25H20ClN3O2/c1-31-25(30)21-7-4-8-22-24(21)29(23(28-22)13-14-26)16-17-9-11-18(12-10-17)20-6-3-2-5-19(20)15-27/h2-12H,13-14,16H2,1H3