(2S)-2-[(3S)-3,5-diphenyl-1,3-dihydropyrazol-2-yl]-2-(3-methoxy-4-oxidanyl-phenyl)ethanenitrile

Systemtic Name: (2S)-2-[(3S)-3,5-diphenyl-1,3-dihydropyrazol-2-yl]-2-(3-methoxy-4-oxidanyl-phenyl)ethanenitrile Openeye Name: (2S)-2-[(3S)-3,5-diphenyl-1,3-dihydropyrazol-2-yl]-2-(4-hydroxy-3-methoxy-phenyl)acetonitrile CAS Name: (2S)-2-[(3S)-3,5-diphenyl-1,3-dihydropyrazol-2-yl]-2-(4-hydroxy-3-methoxyphenyl)acetonitrile IUPAC Name: (2S)-2-[(3S)-3,5-diphenyl-1,3-dihydropyrazol-2-yl]-2-(4-hydroxy-3-methoxyphenyl)acetonitrile Traditional Name: (2S)-2-[(5S)-3,5-diphenyl-3-pyrazolin-1-yl]-2-(4-hydroxy-3-methoxy-phenyl)acetonitrile Formula: C24H21N3O2 MolecularWeight: 383.44244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C#N)N2C(C=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=CC(=C1)[C@@H](C#N)N2[C@@H](C=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C24H21N3O2/c1-29-24-14-19(12-13-23(24)28)22(16-25)27-21(18-10-6-3-7-11-18)15-20(26-27)17-8-4-2-5-9-17/h2-15,21-22,26,28H,1H3/t21-,22+/m0/s1