N-chloranyl-2-(3-fluoranylpiperazin-1-yl)-2-[4-(2-methylpropyl)phenyl]ethanamine

Systemtic Name: N-chloranyl-2-(3-fluoranylpiperazin-1-yl)-2-[4-(2-methylpropyl)phenyl]ethanamine Openeye Name: N-chloro-2-(3-fluoropiperazin-1-yl)-2-(4-isobutylphenyl)ethanamine CAS Name: N-chloro-2-(3-fluoro-1-piperazinyl)-2-[4-(2-methylpropyl)phenyl]ethanamine IUPAC Name: N-chloro-2-(3-fluoropiperazin-1-yl)-2-[4-(2-methylpropyl)phenyl]ethanamine Traditional Name: chloro-[2-(3-fluoropiperazino)-2-(4-isobutylphenyl)ethyl]amine Formula: C16H25ClFN3 MolecularWeight: 313.841203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CNCl)N2CCNC(C2)F

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CNCl)N2CCNC(C2)F

InChI

InChI=1S/C16H25ClFN3/c1-12(2)9-13-3-5-14(6-4-13)15(10-20-17)21-8-7-19-16(18)11-21/h3-6,12,15-16,19-20H,7-11H2,1-2H3