2-[2-(1-adamantylmethyl)-5-nitro-benzimidazol-1-yl]-N,N-diethyl-ethanamine

Systemtic Name: 2-[2-(1-adamantylmethyl)-5-nitro-benzimidazol-1-yl]-N,N-diethyl-ethanamine Openeye Name: 2-[2-(1-adamantylmethyl)-5-nitro-benzimidazol-1-yl]-N,N-diethyl-ethanamine CAS Name: 2-[2-(1-adamantylmethyl)-5-nitro-1-benzimidazolyl]-N,N-diethylethanamine IUPAC Name: 2-[2-(1-adamantylmethyl)-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine Traditional Name: 2-[2-(1-adamantylmethyl)-5-nitro-benzimidazol-1-yl]ethyl-diethyl-amine Formula: C24H34N4O2 MolecularWeight: 410.55236

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N4O2/c1-3-26(4-2)7-8-27-22-6-5-20(28(29)30)12-21(22)25-23(27)16-24-13-17-9-18(14-24)11-19(10-17)15-24/h5-6,12,17-19H,3-4,7-11,13-16H2,1-2H3