methyl 2-butyl-5-chloranyl-3-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]imidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-5-chloranyl-3-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]imidazole-4-carboxylate Openeye Name: methyl 2-butyl-5-chloro-3-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-butyl-5-chloro-3-[[4-(2-cyano-1-pyrrolyl)phenyl]methyl]-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-5-chloro-3-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]imidazole-4-carboxylate Traditional Name: 2-butyl-5-chloro-3-[4-(2-cyanopyrrol-1-yl)benzyl]imidazole-4-carboxylic acid methyl ester Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)N3C=CC=C3C#N)C(=O)OC)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)N3C=CC=C3C#N)C(=O)OC)Cl

InChI

InChI=1S/C21H21ClN4O2/c1-3-4-7-18-24-20(22)19(21(27)28-2)26(18)14-15-8-10-16(11-9-15)25-12-5-6-17(25)13-23/h5-6,8-12H,3-4,7,14H2,1-2H3