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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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