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

Systemtic Name: (E)-N-(3-cyanophenyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-N-(3-cyanophenyl)prop-2-enamide CAS Name: (E)-N-(3-cyanophenyl)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-(3-cyanophenyl)prop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-N-(3-cyanophenyl)acrylamide Formula: C25H19N5O MolecularWeight: 405.45126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C=CC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)/C=C/C(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H19N5O/c26-15-20-8-4-10-23(14-20)28-24(31)12-11-22-18-30(17-19-6-2-1-3-7-19)29-25(22)21-9-5-13-27-16-21/h1-14,16,18H,17H2,(H,28,31)/b12-11+