ethyl (3R,4S)-4-cyano-2,3-diphenyl-5-[(E)-2-phenylethenyl]-3H-pyrazole-4-carboxylate

Systemtic Name: ethyl (3R,4S)-4-cyano-2,3-diphenyl-5-[(E)-2-phenylethenyl]-3H-pyrazole-4-carboxylate Openeye Name: ethyl (3R,4S)-4-cyano-2,3-diphenyl-5-[(E)-styryl]-3H-pyrazole-4-carboxylate CAS Name: (3R,4S)-4-cyano-2,3-diphenyl-5-[(E)-2-phenylethenyl]-3H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-4-cyano-2,3-diphenyl-5-[(E)-2-phenylethenyl]-3H-pyrazole-4-carboxylate Traditional Name: (4S,5R)-4-cyano-1,5-diphenyl-3-[(E)-styryl]-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C27H23N3O2 MolecularWeight: 421.49042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(N(N=C1C=CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)[C@]1([C@H](N(N=C1/C=C/C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H23N3O2/c1-2-32-26(31)27(20-28)24(19-18-21-12-6-3-7-13-21)29-30(23-16-10-5-11-17-23)25(27)22-14-8-4-9-15-22/h3-19,25H,2H2,1H3/b19-18+/t25-,27-/m1/s1