N-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazol-5-yl]-5-chloranyl-pentanamide

Systemtic Name: N-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazol-5-yl]-5-chloranyl-pentanamide Openeye Name: N-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazol-5-yl]-5-chloro-pentanamide CAS Name: N-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-5-benzimidazolyl]-5-chloropentanamide IUPAC Name: N-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazol-5-yl]-5-chloropentanamide Traditional Name: N-[2-butyl-3-[4-(2-cyanophenyl)benzyl]benzimidazol-5-yl]-5-chloro-valeramide Formula: C30H31ClN4O MolecularWeight: 499.04634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C=C(C=C2)NC(=O)CCCCCl

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C=C(C=C2)NC(=O)CCCCCl

InChI

InChI=1S/C30H31ClN4O/c1-2-3-10-29-34-27-17-16-25(33-30(36)11-6-7-18-31)19-28(27)35(29)21-22-12-14-23(15-13-22)26-9-5-4-8-24(26)20-32/h4-5,8-9,12-17,19H,2-3,6-7,10-11,18,21H2,1H3,(H,33,36)