N-[2-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[1-[(4-tert-butylphenyl)methyl]-2-benzimidazolyl]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[1-(4-tert-butylbenzyl)benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Formula: C31H39N3O MolecularWeight: 469.66086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H39N3O/c1-30(2,3)25-10-8-21(9-11-25)20-34-27-7-5-4-6-26(27)33-28(34)12-13-32-29(35)31-17-22-14-23(18-31)16-24(15-22)19-31/h4-11,22-24H,12-20H2,1-3H3,(H,32,35)