6-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]-2-(phenylmethyl)-1H-benzimidazole

Systemtic Name: 6-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]-2-(phenylmethyl)-1H-benzimidazole Openeye Name: 2-benzyl-6-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]-1H-benzimidazole CAS Name: 6-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidinyl]-2-(phenylmethyl)-1H-benzimidazole IUPAC Name: 2-benzyl-6-[(3R,4S)-1-hexyl-3,4-dimethylpiperidin-4-yl]-1H-benzimidazole Traditional Name: 2-benzyl-6-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]-1H-benzimidazole Formula: C27H37N3 MolecularWeight: 403.60278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)C)(C)C2=CC3=C(C=C2)N=C(N3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCN1CC[C@]([C@H](C1)C)(C)C2=CC3=C(C=C2)N=C(N3)CC4=CC=CC=C4

InChI

InChI=1S/C27H37N3/c1-4-5-6-10-16-30-17-15-27(3,21(2)20-30)23-13-14-24-25(19-23)29-26(28-24)18-22-11-8-7-9-12-22/h7-9,11-14,19,21H,4-6,10,15-18,20H2,1-3H3,(H,28,29)/t21-,27-/m0/s1