2-(benzimidazol-1-yl)-3-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-(benzimidazol-1-yl)-3-[(2-butyl-4-chloranyl-5-methanoyl-imidazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-(benzimidazol-1-yl)-3-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]benzonitrile CAS Name: 2-(1-benzimidazolyl)-3-[(2-butyl-4-chloro-5-formyl-1-imidazolyl)methyl]benzonitrile IUPAC Name: 2-(benzimidazol-1-yl)-3-[(2-butyl-4-chloro-5-formylimidazol-1-yl)methyl]benzonitrile Traditional Name: 2-(benzimidazol-1-yl)-3-[(2-butyl-4-chloro-5-formyl-imidazol-1-yl)methyl]benzonitrile Formula: C23H20ClN5O MolecularWeight: 417.8908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=CC(=C2N3C=NC4=CC=CC=C43)C#N)C=O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=CC(=C2N3C=NC4=CC=CC=C43)C#N)C=O)Cl

InChI

InChI=1S/C23H20ClN5O/c1-2-3-11-21-27-23(24)20(14-30)28(21)13-17-8-6-7-16(12-25)22(17)29-15-26-18-9-4-5-10-19(18)29/h4-10,14-15H,2-3,11,13H2,1H3