2-[4-(4-bromophenyl)piperazin-1-yl]-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[4-(4-bromophenyl)piperazin-1-yl]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[4-(4-bromophenyl)piperazin-1-yl]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[4-(4-bromophenyl)-1-piperazinyl]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[4-(4-bromophenyl)piperazin-1-yl]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[4-(4-bromophenyl)piperazino]-N-(cyanomethyl)-4-methyl-valeramide Formula: C18H25BrN4O MolecularWeight: 393.3213

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)N1CCN(CC1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)N1CCN(CC1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H25BrN4O/c1-14(2)13-17(18(24)21-8-7-20)23-11-9-22(10-12-23)16-5-3-15(19)4-6-16/h3-6,14,17H,8-13H2,1-2H3,(H,21,24)