3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide

Systemtic Name: 3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(2-methyl-4-oxidanylidene-pentan-2-yl)propanamide Openeye Name: 3-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-N-(1,1-dimethyl-3-oxo-butyl)propanamide CAS Name: 3-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-N-(2-methyl-4-oxopentan-2-yl)propanamide IUPAC Name: 3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-4-oxopentan-2-yl)propanamide Traditional Name: 3-[4-(2-chloro-6-fluoro-benzyl)piperazino]-N-(3-keto-1,1-dimethyl-butyl)propionamide Formula: C20H29ClFN3O2 MolecularWeight: 397.914563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=O)CCN1CCN(CC1)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(=O)CC(C)(C)NC(=O)CCN1CCN(CC1)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C20H29ClFN3O2/c1-15(26)13-20(2,3)23-19(27)7-8-24-9-11-25(12-10-24)14-16-17(21)5-4-6-18(16)22/h4-6H,7-14H2,1-3H3,(H,23,27)