4-(1-adamantyl)-N'-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]quinoline-2-carbohydrazide trihydrobromide

Systemtic Name: 4-(1-adamantyl)-N'-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]quinoline-2-carbohydrazide trihydrobromide Openeye Name: 4-(1-adamantyl)-N'-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]quinoline-2-carbohydrazide trihydrobromide CAS Name: 4-(1-adamantyl)-N'-[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-quinolinecarbohydrazide trihydrobromide IUPAC Name: 4-(1-adamantyl)-N'-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]quinoline-2-carbohydrazide trihydrobromide Traditional Name: 4-(1-adamantyl)-N'-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]quinaldohydrazide trihydrobromide Formula: C26H33Br3N6O2 MolecularWeight: 701.29122

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NNC(=O)C(CC6=CN=CN6)N.Br.Br.Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NNC(=O)[C@H](CC6=CN=CN6)N.Br.Br.Br

InChI

InChI=1S/C26H30N6O2.3BrH/c27-21(8-18-13-28-14-29-18)24(33)31-32-25(34)23-9-20(19-3-1-2-4-22(19)30-23)26-10-15-5-16(11-26)7-17(6-15)12-26;;;/h1-4,9,13-17,21H,5-8,10-12,27H2,(H,28,29)(H,31,33)(H,32,34);3*1H/t15?,16?,17?,21-,26?;;;/m0.../s1