2-butyl-1-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]imidazole-4,5-dicarboxamide

Systemtic Name: 2-butyl-1-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]imidazole-4,5-dicarboxamide Openeye Name: 2-butyl-1-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]imidazole-4,5-dicarboxamide CAS Name: 2-butyl-1-[[4-(2-cyano-1-pyrrolyl)phenyl]methyl]imidazole-4,5-dicarboxamide IUPAC Name: 2-butyl-1-[[4-(2-cyanopyrrol-1-yl)phenyl]methyl]imidazole-4,5-dicarboxamide Traditional Name: 2-butyl-1-[4-(2-cyanopyrrol-1-yl)benzyl]imidazole-4,5-dicarboxamide Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O2/c1-2-3-6-17-25-18(20(23)28)19(21(24)29)27(17)13-14-7-9-15(10-8-14)26-11-4-5-16(26)12-22/h4-5,7-11H,2-3,6,13H2,1H3,(H2,23,28)(H2,24,29)