(2S)-2-(2,4-dimethoxyphenyl)-2-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanenitrile

Systemtic Name: (2S)-2-(2,4-dimethoxyphenyl)-2-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanenitrile Openeye Name: (2S)-2-(2,4-dimethoxyphenyl)-2-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile CAS Name: (2S)-2-(2,4-dimethoxyphenyl)-2-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile IUPAC Name: (2S)-2-(2,4-dimethoxyphenyl)-2-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile Traditional Name: (2S)-2-(2,4-dimethoxyphenyl)-2-[(5R)-3-methyl-5-phenyl-2-pyrazolin-1-yl]acetonitrile Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)C2=CC=CC=C2)C(C#N)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC1=NN([C@H](C1)C2=CC=CC=C2)[C@H](C#N)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C20H21N3O2/c1-14-11-18(15-7-5-4-6-8-15)23(22-14)19(13-21)17-10-9-16(24-2)12-20(17)25-3/h4-10,12,18-19H,11H2,1-3H3/t18-,19-/m1/s1