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

Systemtic Name: N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]-2-benzimidazolyl]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Formula: C31H39N3O2 MolecularWeight: 485.66026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCCN2C3=CC=CC=C3N=C2CCNC(=O)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCCN2C3=CC=CC=C3N=C2CCNC(=O)C45CC6CC(C4)CC(C6)C5)C

InChI

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