(2S)-3-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-2-methyl-propanenitrile

Systemtic Name: (2S)-3-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-2-methyl-propanenitrile Openeye Name: (2S)-3-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methyl-propanenitrile CAS Name: (2S)-3-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-methylpropanenitrile IUPAC Name: (2S)-3-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpropanenitrile Traditional Name: (2S)-2-methyl-3-(4-p-anisoylpiperazino)propionitrile Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)C(=O)C2=CC=C(C=C2)OC)C#N

Isomeric SMILES

C[C@@H](CN1CCN(CC1)C(=O)C2=CC=C(C=C2)OC)C#N

InChI

InChI=1S/C16H21N3O2/c1-13(11-17)12-18-7-9-19(10-8-18)16(20)14-3-5-15(21-2)6-4-14/h3-6,13H,7-10,12H2,1-2H3/t13-/m1/s1