N-[2-[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[1-[3-(4-sec-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[1-[3-(4-butan-2-ylphenoxy)propyl]-2-benzimidazolyl]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[1-[3-(4-sec-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Formula: C33H43N3O2 MolecularWeight: 513.71342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N=C2CCNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N=C2CCNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C33H43N3O2/c1-3-23(2)27-9-11-28(12-10-27)38-16-6-15-36-30-8-5-4-7-29(30)35-31(36)13-14-34-32(37)33-20-24-17-25(21-33)19-26(18-24)22-33/h4-5,7-12,23-26H,3,6,13-22H2,1-2H3,(H,34,37)