N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-pyridyl)piperazin-1-yl]acetamide CAS Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-pyridinyl)-1-piperazinyl]acetamide IUPAC Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-pyridyl)piperazino]acetamide Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)CN2CCN(CC2)C3=CC=CC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)NC(=O)CN2CCN(CC2)C3=CC=CC=N3)C

InChI

InChI=1S/C21H28N4O/c1-16-7-8-19(14-17(16)2)18(3)23-21(26)15-24-10-12-25(13-11-24)20-6-4-5-9-22-20/h4-9,14,18H,10-13,15H2,1-3H3,(H,23,26)/t18-/m0/s1