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

Systemtic Name: (E)-N-(phenylmethyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-N-benzyl-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-(phenylmethyl)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-benzyl-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-benzyl-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]acrylamide Formula: C25H22N4O MolecularWeight: 394.46838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O/c30-24(27-16-20-8-3-1-4-9-20)14-13-23-19-29(18-21-10-5-2-6-11-21)28-25(23)22-12-7-15-26-17-22/h1-15,17,19H,16,18H2,(H,27,30)/b14-13+