(2S)-2-(4-bromanylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]propanamide

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]propanamide Openeye Name: (2S)-2-(4-bromophenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]propanamide CAS Name: (2S)-2-(4-bromophenoxy)-N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]propanamide IUPAC Name: (2S)-2-(4-bromophenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]propanamide Traditional Name: (2S)-2-(4-bromophenoxy)-N-[4-(4-ethylpiperazino)-2-methyl-phenyl]propionamide Formula: C22H28BrN3O2 MolecularWeight: 446.38062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C(C)OC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)[C@H](C)OC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H28BrN3O2/c1-4-25-11-13-26(14-12-25)19-7-10-21(16(2)15-19)24-22(27)17(3)28-20-8-5-18(23)6-9-20/h5-10,15,17H,4,11-14H2,1-3H3,(H,24,27)/t17-/m0/s1