N-(tert-butylcarbamoyl)-3-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]propanamide

Systemtic Name: N-(tert-butylcarbamoyl)-3-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]propanamide Openeye Name: N-(tert-butylcarbamoyl)-3-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-3-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(tert-butylcarbamoyl)-3-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]propanamide Traditional Name: N-(tert-butylcarbamoyl)-3-[4-(2-chloro-4-fluoro-benzyl)piperazino]propionamide Formula: C19H28ClFN4O2 MolecularWeight: 398.902623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)CCN1CCN(CC1)CC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)CCN1CCN(CC1)CC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C19H28ClFN4O2/c1-19(2,3)23-18(27)22-17(26)6-7-24-8-10-25(11-9-24)13-14-4-5-15(21)12-16(14)20/h4-5,12H,6-11,13H2,1-3H3,(H2,22,23,26,27)