4-(azepan-4-ylamino)-2H-phthalazin-1-one dihydrobromide

Systemtic Name: 4-(azepan-4-ylamino)-2H-phthalazin-1-one dihydrobromide Openeye Name: 4-(azepan-4-ylamino)-2H-phthalazin-1-one dihydrobromide CAS Name: 4-(4-azepanylamino)-2H-phthalazin-1-one dihydrobromide IUPAC Name: 4-(azepan-4-ylamino)-2H-phthalazin-1-one dihydrobromide Traditional Name: 4-(azepan-4-ylamino)-2H-phthalazin-1-one dihydrobromide Formula: C14H20Br2N4O MolecularWeight: 420.1428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)NC2=NNC(=O)C3=CC=CC=C32.Br.Br

Isomeric SMILES

C1CC(CCNC1)NC2=NNC(=O)C3=CC=CC=C32.Br.Br

InChI

InChI=1S/C14H18N4O.2BrH/c19-14-12-6-2-1-5-11(12)13(17-18-14)16-10-4-3-8-15-9-7-10;;/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,17)(H,18,19);2*1H