1-[4-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone

Systemtic Name: 1-[4-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone Openeye Name: 1-[4-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone CAS Name: 1-[4-butyl-2-[(1S)-1-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-2-(3,4-dichlorophenyl)ethanone IUPAC Name: 1-[4-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone Traditional Name: 1-[4-butyl-2-[(1S)-1-pyrrolidinoethyl]piperazino]-2-(3,4-dichlorophenyl)ethanone Formula: C22H33Cl2N3O MolecularWeight: 426.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(C(C1)C(C)N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCN1CCN(C(C1)[C@H](C)N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H33Cl2N3O/c1-3-4-9-25-12-13-27(21(16-25)17(2)26-10-5-6-11-26)22(28)15-18-7-8-19(23)20(24)14-18/h7-8,14,17,21H,3-6,9-13,15-16H2,1-2H3/t17-,21?/m0/s1