(2S)-2-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]-2-phenyl-ethanenitrile

Systemtic Name: (2S)-2-[4-(3,5-dimethoxyphenyl)carbonylpiperazin-1-yl]-2-phenyl-ethanenitrile Openeye Name: (2S)-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenyl-acetonitrile CAS Name: (2S)-2-[4-[(3,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-2-phenylacetonitrile IUPAC Name: (2S)-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-phenylacetonitrile Traditional Name: (2S)-2-[4-(3,5-dimethoxybenzoyl)piperazino]-2-phenyl-acetonitrile Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C(C#N)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)[C@H](C#N)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H23N3O3/c1-26-18-12-17(13-19(14-18)27-2)21(25)24-10-8-23(9-11-24)20(15-22)16-6-4-3-5-7-16/h3-7,12-14,20H,8-11H2,1-2H3/t20-/m1/s1