N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[1-[2-(2-isopropylphenoxy)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]-2-benzimidazolyl]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[1-[2-(2-isopropylphenoxy)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Formula: C31H39N3O2 MolecularWeight: 485.66026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCCN2C3=CC=CC=C3N=C2CCNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C)C1=CC=CC=C1OCCN2C3=CC=CC=C3N=C2CCNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H39N3O2/c1-21(2)25-7-3-6-10-28(25)36-14-13-34-27-9-5-4-8-26(27)33-29(34)11-12-32-30(35)31-18-22-15-23(19-31)17-24(16-22)20-31/h3-10,21-24H,11-20H2,1-2H3,(H,32,35)