N-[(2S)-1-(3,4-dichlorophenyl)-5-(4-ethanoylpiperazin-1-yl)-3-oxidanyl-pentan-2-yl]cyclopropanecarboxamide

Systemtic Name: N-[(2S)-1-(3,4-dichlorophenyl)-5-(4-ethanoylpiperazin-1-yl)-3-oxidanyl-pentan-2-yl]cyclopropanecarboxamide Openeye Name: N-[(1S)-4-(4-acetylpiperazin-1-yl)-1-[(3,4-dichlorophenyl)methyl]-2-hydroxy-butyl]cyclopropanecarboxamide CAS Name: N-[(2S)-5-(4-acetyl-1-piperazinyl)-1-(3,4-dichlorophenyl)-3-hydroxypentan-2-yl]cyclopropanecarboxamide IUPAC Name: N-[(2S)-5-(4-acetylpiperazin-1-yl)-1-(3,4-dichlorophenyl)-3-hydroxypentan-2-yl]cyclopropanecarboxamide Traditional Name: N-[(1S)-4-(4-acetylpiperazino)-1-(3,4-dichlorobenzyl)-2-hydroxy-butyl]cyclopropanecarboxamide Formula: C21H29Cl2N3O3 MolecularWeight: 442.37926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CCC(C(CC2=CC(=C(C=C2)Cl)Cl)NC(=O)C3CC3)O

Isomeric SMILES

CC(=O)N1CCN(CC1)CCC([C@H](CC2=CC(=C(C=C2)Cl)Cl)NC(=O)C3CC3)O

InChI

InChI=1S/C21H29Cl2N3O3/c1-14(27)26-10-8-25(9-11-26)7-6-20(28)19(24-21(29)16-3-4-16)13-15-2-5-17(22)18(23)12-15/h2,5,12,16,19-20,28H,3-4,6-11,13H2,1H3,(H,24,29)/t19-,20?/m0/s1