pyridin-2-ylmethyl (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: pyridin-2-ylmethyl (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: 2-pyridylmethyl (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acrylic acid 2-pyridylmethyl ester Formula: C25H21N3O2 MolecularWeight: 395.45314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)C=CC(=O)OCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)/C=C/C(=O)OCC4=CC=CC=N4

InChI

InChI=1S/C25H21N3O2/c29-24(30-19-23-13-7-8-16-26-23)15-14-22-18-28(17-20-9-3-1-4-10-20)27-25(22)21-11-5-2-6-12-21/h1-16,18H,17,19H2/b15-14+