2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one hydrobromide

Systemtic Name: 2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one hydrobromide Openeye Name: 2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one hydrobromide CAS Name: 2-(4-azepanyl)-4-[(4-chlorophenyl)methyl]-1-phthalazinone hydrobromide IUPAC Name: 2-(azepan-4-yl)-4-[(4-chlorophenyl)methyl]phthalazin-1-one hydrobromide Traditional Name: 2-(azepan-4-yl)-4-(4-chlorobenzyl)phthalazin-1-one hydrobromide Formula: C21H23BrClN3O MolecularWeight: 448.78382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl.Br

Isomeric SMILES

C1CC(CCNC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl.Br

InChI

InChI=1S/C21H22ClN3O.BrH/c22-16-9-7-15(8-10-16)14-20-18-5-1-2-6-19(18)21(26)25(24-20)17-4-3-12-23-13-11-17;/h1-2,5-10,17,23H,3-4,11-14H2;1H