(2S)-N-[5-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)propanamide

Systemtic Name: (2S)-N-[5-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)propanamide Openeye Name: (2S)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)propanamide CAS Name: (2S)-N-[5-chloro-2-(4-ethyl-1-piperazinyl)phenyl]-2-(3-methylphenoxy)propanamide IUPAC Name: (2S)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-methylphenoxy)propanamide Traditional Name: (2S)-N-[5-chloro-2-(4-ethylpiperazino)phenyl]-2-(3-methylphenoxy)propionamide Formula: C22H28ClN3O2 MolecularWeight: 401.92962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O2/c1-4-25-10-12-26(13-11-25)21-9-8-18(23)15-20(21)24-22(27)17(3)28-19-7-5-6-16(2)14-19/h5-9,14-15,17H,4,10-13H2,1-3H3,(H,24,27)/t17-/m0/s1