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(2S)-3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-methyl-propanenitrile
(2S)-3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-methyl-propanenitrile
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=C(C=C1CN2CCN(CC2)CC(C)C#N)OC)OC
Isomeric SMILES
CC1=CC(=C(C=C1CN2CCN(CC2)C[C@H](C)C#N)OC)OC
InChI
InChI=1S/C18H27N3O2/c1-14(11-19)12-20-5-7-21(8-6-20)13-16-10-18(23-4)17(22-3)9-15(16)2/h9-10,14H,5-8,12-13H2,1-4H3/t14-/m1/s1
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