(2S)-N-(4-chloranyl-2-fluoranyl-phenyl)-2-(4-phenethylpiperazin-1-yl)propanamide

Systemtic Name: (2S)-N-(4-chloranyl-2-fluoranyl-phenyl)-2-(4-phenethylpiperazin-1-yl)propanamide Openeye Name: (2S)-N-(4-chloro-2-fluoro-phenyl)-2-(4-phenethylpiperazin-1-yl)propanamide CAS Name: (2S)-N-(4-chloro-2-fluorophenyl)-2-(4-phenethyl-1-piperazinyl)propanamide IUPAC Name: (2S)-N-(4-chloro-2-fluorophenyl)-2-(4-phenethylpiperazin-1-yl)propanamide Traditional Name: (2S)-N-(4-chloro-2-fluoro-phenyl)-2-(4-phenethylpiperazino)propionamide Formula: C21H25ClFN3O MolecularWeight: 389.894103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)F)N2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)Cl)F)N2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H25ClFN3O/c1-16(21(27)24-20-8-7-18(22)15-19(20)23)26-13-11-25(12-14-26)10-9-17-5-3-2-4-6-17/h2-8,15-16H,9-14H2,1H3,(H,24,27)/t16-/m0/s1