ethyl 5-[(E)-2-cyano-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-2-cyano-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-1-oxo-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-cyanoprop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C28H25N5O3 MolecularWeight: 479.5298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)/C#N)C

InChI

InChI=1S/C28H25N5O3/c1-4-36-28(35)24-18(2)25(31-19(24)3)27(34)22(14-29)13-23-17-33(16-20-9-6-5-7-10-20)32-26(23)21-11-8-12-30-15-21/h5-13,15,17,31H,4,16H2,1-3H3/b22-13+