ethyl (E)-3-[(3R)-3-(4-dimethylaminophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]but-2-enoate

Systemtic Name: ethyl (E)-3-[(3R)-3-(4-dimethylaminophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]but-2-enoate Openeye Name: ethyl (E)-3-[(3R)-3-(4-dimethylaminophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]but-2-enoate CAS Name: (E)-3-[(3R)-3-(4-dimethylaminophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(3R)-3-(4-dimethylaminophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]but-2-enoate Traditional Name: (E)-3-[(5R)-5-(4-dimethylaminophenyl)-3-phenyl-2-pyrazolin-1-yl]but-2-enoic acid ethyl ester Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)/C=C(\C)/N1[C@H](CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C23H27N3O2/c1-5-28-23(27)15-17(2)26-22(19-11-13-20(14-12-19)25(3)4)16-21(24-26)18-9-7-6-8-10-18/h6-15,22H,5,16H2,1-4H3/b17-15+/t22-/m1/s1