3-acetamido-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)adamantane-1-carboxamide

Systemtic Name: 3-acetamido-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)adamantane-1-carboxamide Openeye Name: 3-acetamido-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)adamantane-1-carboxamide CAS Name: 3-acetamido-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)-1-adamantanecarboxamide IUPAC Name: 3-acetamido-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)adamantane-1-carboxamide Traditional Name: 3-acetamido-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)adamantane-1-carboxamide Formula: C25H32N4O2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=CC5=C(C=C4)N6CCCCCC6=N5

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=CC5=C(C=C4)N6CCCCCC6=N5

InChI

InChI=1S/C25H32N4O2/c1-16(30)28-25-13-17-9-18(14-25)12-24(11-17,15-25)23(31)26-19-6-7-21-20(10-19)27-22-5-3-2-4-8-29(21)22/h6-7,10,17-18H,2-5,8-9,11-15H2,1H3,(H,26,31)(H,28,30)