N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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