4-(1-adamantyl)-N'-[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]quinoline-2-carbohydrazide dihydrobromide

Systemtic Name: 4-(1-adamantyl)-N'-[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]quinoline-2-carbohydrazide dihydrobromide Openeye Name: 4-(1-adamantyl)-N'-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]quinoline-2-carbohydrazide dihydrobromide CAS Name: 4-(1-adamantyl)-N'-[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]-2-quinolinecarbohydrazide dihydrobromide IUPAC Name: 4-(1-adamantyl)-N'-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]quinoline-2-carbohydrazide dihydrobromide Traditional Name: 4-(1-adamantyl)-N'-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]quinaldohydrazide dihydrobromide Formula: C31H35Br2N5O2 MolecularWeight: 669.4499

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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=CNC7=CC=CC=C76)N.Br.Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NNC(=O)[C@H](CC6=CNC7=CC=CC=C76)N.Br.Br

InChI

InChI=1S/C31H33N5O2.2BrH/c32-25(12-21-17-33-26-7-3-1-5-22(21)26)29(37)35-36-30(38)28-13-24(23-6-2-4-8-27(23)34-28)31-14-18-9-19(15-31)11-20(10-18)16-31;;/h1-8,13,17-20,25,33H,9-12,14-16,32H2,(H,35,37)(H,36,38);2*1H/t18?,19?,20?,25-,31?;;/m0../s1