2-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-4-methyl-2-thiophen-2-yl-pentanamide

Systemtic Name: 2-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-4-methyl-2-thiophen-2-yl-pentanamide Openeye Name: 2-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-4-methyl-2-(2-thienyl)pentanamide CAS Name: 2-[[4-[(3,4-dichlorophenyl)methyl]-1-piperazinyl]methyl]-4-methyl-2-thiophen-2-ylpentanamide IUPAC Name: 2-[[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methyl]-4-methyl-2-thiophen-2-ylpentanamide Traditional Name: 2-[[4-(3,4-dichlorobenzyl)piperazino]methyl]-4-methyl-2-(2-thienyl)valeramide Formula: C22H29Cl2N3OS MolecularWeight: 454.45616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CN1CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl)(C3=CC=CS3)C(=O)N

Isomeric SMILES

CC(C)CC(CN1CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl)(C3=CC=CS3)C(=O)N

InChI

InChI=1S/C22H29Cl2N3OS/c1-16(2)13-22(21(25)28,20-4-3-11-29-20)15-27-9-7-26(8-10-27)14-17-5-6-18(23)19(24)12-17/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H2,25,28)