N-[2-[[4-(4-cyanophenyl)-3-(2-methyl-1H-imidazol-5-yl)butyl]amino]ethyl]adamantane-2-carboxamide

Systemtic Name: N-[2-[[4-(4-cyanophenyl)-3-(2-methyl-1H-imidazol-5-yl)butyl]amino]ethyl]adamantane-2-carboxamide Openeye Name: N-[2-[[4-(4-cyanophenyl)-3-(2-methyl-1H-imidazol-5-yl)butyl]amino]ethyl]adamantane-2-carboxamide CAS Name: N-[2-[[4-(4-cyanophenyl)-3-(2-methyl-1H-imidazol-5-yl)butyl]amino]ethyl]-2-adamantanecarboxamide IUPAC Name: N-[2-[[4-(4-cyanophenyl)-3-(2-methyl-1H-imidazol-5-yl)butyl]amino]ethyl]adamantane-2-carboxamide Traditional Name: N-[2-[[4-(4-cyanophenyl)-3-(2-methyl-1H-imidazol-5-yl)butyl]amino]ethyl]adamantane-2-carboxamide Formula: C28H37N5O MolecularWeight: 459.62628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1)C(CCNCCNC(=O)C2C3CC4CC(C3)CC2C4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=NC=C(N1)C(CCNCCNC(=O)C2C3CC4CC(C3)CC2C4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H37N5O/c1-18-32-17-26(33-18)23(11-19-2-4-20(16-29)5-3-19)6-7-30-8-9-31-28(34)27-24-12-21-10-22(14-24)15-25(27)13-21/h2-5,17,21-25,27,30H,6-15H2,1H3,(H,31,34)(H,32,33)