4-(1-adamantyl)-N-[(2S)-5-azanyl-1-diazanyl-1-oxidanylidene-pentan-2-yl]quinoline-2-carboxamide trihydrobromide

Systemtic Name: 4-(1-adamantyl)-N-[(2S)-5-azanyl-1-diazanyl-1-oxidanylidene-pentan-2-yl]quinoline-2-carboxamide trihydrobromide Openeye Name: 4-(1-adamantyl)-N-[(1S)-4-amino-1-(hydrazinecarbonyl)butyl]quinoline-2-carboxamide trihydrobromide CAS Name: 4-(1-adamantyl)-N-[(2S)-5-amino-1-hydrazinyl-1-oxopentan-2-yl]-2-quinolinecarboxamide trihydrobromide IUPAC Name: 4-(1-adamantyl)-N-[(2S)-5-amino-1-hydrazinyl-1-oxopentan-2-yl]quinoline-2-carboxamide trihydrobromide Traditional Name: 4-(1-adamantyl)-N-[(1S)-4-amino-1-carbazoyl-butyl]quinaldamide trihydrobromide Formula: C25H36Br3N5O2 MolecularWeight: 678.29764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O2.3BrH/c26-7-3-6-21(24(32)30-27)29-23(31)22-11-19(18-4-1-2-5-20(18)28-22)25-12-15-8-16(13-25)10-17(9-15)14-25;;;/h1-2,4-5,11,15-17,21H,3,6-10,12-14,26-27H2,(H,29,31)(H,30,32);3*1H/t15?,16?,17?,21-,25?;;;/m0.../s1