4-(1-adamantyl)-N-[(2S)-6-azanyl-1-diazanyl-1-oxidanylidene-hexan-2-yl]quinoline-2-carboxamide trihydrobromide

Systemtic Name: 4-(1-adamantyl)-N-[(2S)-6-azanyl-1-diazanyl-1-oxidanylidene-hexan-2-yl]quinoline-2-carboxamide trihydrobromide Openeye Name: 4-(1-adamantyl)-N-[(1S)-5-amino-1-(hydrazinecarbonyl)pentyl]quinoline-2-carboxamide trihydrobromide CAS Name: 4-(1-adamantyl)-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]-2-quinolinecarboxamide trihydrobromide IUPAC Name: 4-(1-adamantyl)-N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]quinoline-2-carboxamide trihydrobromide Traditional Name: 4-(1-adamantyl)-N-[(1S)-5-amino-1-carbazoyl-pentyl]quinaldamide trihydrobromide Formula: C26H38Br3N5O2 MolecularWeight: 692.32422

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NC(CCCCN)C(=O)NN.Br.Br.Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)N[C@@H](CCCCN)C(=O)NN.Br.Br.Br

InChI

InChI=1S/C26H35N5O2.3BrH/c27-8-4-3-7-22(25(33)31-28)30-24(32)23-12-20(19-5-1-2-6-21(19)29-23)26-13-16-9-17(14-26)11-18(10-16)15-26;;;/h1-2,5-6,12,16-18,22H,3-4,7-11,13-15,27-28H2,(H,30,32)(H,31,33);3*1H/t16?,17?,18?,22-,26?;;;/m0.../s1