2-[6-[3-chloranyl-4-[(E)-3-phenylprop-2-enyl]phenyl]hexyl]-4-ethynyl-1H-benzimidazole

Systemtic Name: 2-[6-[3-chloranyl-4-[(E)-3-phenylprop-2-enyl]phenyl]hexyl]-4-ethynyl-1H-benzimidazole Openeye Name: 2-[6-[3-chloro-4-[(E)-cinnamyl]phenyl]hexyl]-4-ethynyl-1H-benzimidazole CAS Name: 2-[6-[3-chloro-4-[(E)-3-phenylprop-2-enyl]phenyl]hexyl]-4-ethynyl-1H-benzimidazole IUPAC Name: 2-[6-[3-chloro-4-[(E)-3-phenylprop-2-enyl]phenyl]hexyl]-4-ethynyl-1H-benzimidazole Traditional Name: 2-[6-[3-chloro-4-[(E)-cinnamyl]phenyl]hexyl]-4-ethynyl-1H-benzimidazole Formula: C30H29ClN2 MolecularWeight: 453.01766

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C2C(=CC=C1)NC(=N2)CCCCCCC3=CC(=C(C=C3)CC=CC4=CC=CC=C4)Cl

Isomeric SMILES

C#CC1=C2C(=CC=C1)NC(=N2)CCCCCCC3=CC(=C(C=C3)C/C=C/C4=CC=CC=C4)Cl

InChI

InChI=1S/C30H29ClN2/c1-2-25-16-11-18-28-30(25)33-29(32-28)19-9-4-3-6-14-24-20-21-26(27(31)22-24)17-10-15-23-12-7-5-8-13-23/h1,5,7-8,10-13,15-16,18,20-22H,3-4,6,9,14,17,19H2,(H,32,33)/b15-10+