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

Systemtic Name: (2S)-2-(4-bromanyl-2-oxidanyl-phenyl)-2-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanenitrile Openeye Name: (2S)-2-(4-bromo-2-hydroxy-phenyl)-2-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile CAS Name: (2S)-2-(4-bromo-2-hydroxyphenyl)-2-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile IUPAC Name: (2S)-2-(4-bromo-2-hydroxyphenyl)-2-[(3R)-5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl]acetonitrile Traditional Name: (2S)-2-(4-bromo-2-hydroxy-phenyl)-2-[(5R)-3-methyl-5-phenyl-2-pyrazolin-1-yl]acetonitrile Formula: C18H16BrN3O MolecularWeight: 370.24314

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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)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O/c1-12-9-16(13-5-3-2-4-6-13)22(21-12)17(11-20)15-8-7-14(19)10-18(15)23/h2-8,10,16-17,23H,9H2,1H3/t16-,17-/m1/s1