4-[[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[(2R,5S)-5-isopropyl-3,6-dimethoxy-2,5-dihydropyrazin-2-yl]methyl]benzonitrile CAS Name: 4-[[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]benzonitrile IUPAC Name: 4-[[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]benzonitrile Traditional Name: 4-[[(2R,5S)-5-isopropyl-3,6-dimethoxy-2,5-dihydropyrazin-2-yl]methyl]benzonitrile Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=NC(C(=N1)OC)CC2=CC=C(C=C2)C#N)OC

Isomeric SMILES

CC(C)[C@H]1C(=N[C@@H](C(=N1)OC)CC2=CC=C(C=C2)C#N)OC

InChI

InChI=1S/C17H21N3O2/c1-11(2)15-17(22-4)19-14(16(20-15)21-3)9-12-5-7-13(10-18)8-6-12/h5-8,11,14-15H,9H2,1-4H3/t14-,15+/m1/s1