(E)-2-cyano-N-(phenylmethyl)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(phenylmethyl)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-N-benzyl-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-cyano-prop-2-enamide CAS Name: (E)-2-cyano-N-(phenylmethyl)-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-benzyl-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-benzyl-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-cyano-acrylamide Formula: C27H22N4O MolecularWeight: 418.48978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O/c28-17-24(27(32)29-18-21-10-4-1-5-11-21)16-25-20-31(19-22-12-6-2-7-13-22)30-26(25)23-14-8-3-9-15-23/h1-16,20H,18-19H2,(H,29,32)/b24-16+