(2S)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-2-(3-nitrophenyl)ethanenitrile

Systemtic Name: (2S)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-2-(3-nitrophenyl)ethanenitrile Openeye Name: (2S)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-2-(3-nitrophenyl)acetonitrile CAS Name: (2S)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-2-(3-nitrophenyl)acetonitrile IUPAC Name: (2S)-2-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-2-(3-nitrophenyl)acetonitrile Traditional Name: (2S)-2-[(5R)-3,5-diphenyl-2-pyrazolin-1-yl]-2-(3-nitrophenyl)acetonitrile Formula: C23H18N4O2 MolecularWeight: 382.41462

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(C#N)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=CC=C2)[C@H](C#N)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H18N4O2/c24-16-23(19-12-7-13-20(14-19)27(28)29)26-22(18-10-5-2-6-11-18)15-21(25-26)17-8-3-1-4-9-17/h1-14,22-23H,15H2/t22-,23-/m1/s1