4-(1-adamantyl)-N-[(2S)-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]quinoline-2-carboxamide dihydrobromide

Systemtic Name: 4-(1-adamantyl)-N-[(2S)-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]quinoline-2-carboxamide dihydrobromide Openeye Name: 4-(1-adamantyl)-N-[(1S)-2-hydrazino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]quinoline-2-carboxamide dihydrobromide CAS Name: 4-(1-adamantyl)-N-[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-quinolinecarboxamide dihydrobromide IUPAC Name: 4-(1-adamantyl)-N-[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]quinoline-2-carboxamide dihydrobromide Traditional Name: 4-(1-adamantyl)-N-[(1S)-2-hydrazino-1-(4-hydroxybenzyl)-2-keto-ethyl]quinaldamide dihydrobromide Formula: C29H34Br2N4O3 MolecularWeight: 646.41326

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NC(CC6=CC=C(C=C6)O)C(=O)NN.Br.Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)NN.Br.Br

InChI

InChI=1S/C29H32N4O3.2BrH/c30-33-28(36)25(12-17-5-7-21(34)8-6-17)32-27(35)26-13-23(22-3-1-2-4-24(22)31-26)29-14-18-9-19(15-29)11-20(10-18)16-29;;/h1-8,13,18-20,25,34H,9-12,14-16,30H2,(H,32,35)(H,33,36);2*1H/t18?,19?,20?,25-,29?;;/m0../s1