2-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-N-(2-cyano-3-methyl-butan-2-yl)propanamide

Systemtic Name: 2-[4-(3-chlorophenyl)carbonylpiperazin-1-yl]-N-(2-cyano-3-methyl-butan-2-yl)propanamide Openeye Name: 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: 2-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]-N-(2-cyano-3-methylbutan-2-yl)propanamide IUPAC Name: 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2-cyano-3-methylbutan-2-yl)propanamide Traditional Name: 2-[4-(3-chlorobenzoyl)piperazino]-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C20H27ClN4O2 MolecularWeight: 390.90698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)N1CCN(CC1)C(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)N1CCN(CC1)C(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H27ClN4O2/c1-14(2)20(4,13-22)23-18(26)15(3)24-8-10-25(11-9-24)19(27)16-6-5-7-17(21)12-16/h5-7,12,14-15H,8-11H2,1-4H3,(H,23,26)