N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[1-[2-(2-allylphenoxy)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]-2-benzimidazolyl]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[1-[2-(2-allylphenoxy)ethyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Formula: C31H37N3O2 MolecularWeight: 483.64438

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCCN2C3=CC=CC=C3N=C2CCNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C=CCC1=CC=CC=C1OCCN2C3=CC=CC=C3N=C2CCNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H37N3O2/c1-2-7-25-8-3-6-11-28(25)36-15-14-34-27-10-5-4-9-26(27)33-29(34)12-13-32-30(35)31-19-22-16-23(20-31)18-24(17-22)21-31/h2-6,8-11,22-24H,1,7,12-21H2,(H,32,35)