2-[[(E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]propanediamide

Systemtic Name: 2-[[(E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]propanediamide Openeye Name: 2-[[(E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]propanediamide CAS Name: 2-[[(E)-1-oxo-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]prop-2-enyl]amino]propanediamide IUPAC Name: 2-[[(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoyl]amino]propanediamide Traditional Name: 2-[[(E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acryloyl]amino]malonamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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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)NC(C(=O)N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)/C=C/C(=O)NC(C(=O)N)C(=O)N

InChI

InChI=1S/C22H21N5O3/c23-21(29)20(22(24)30)25-18(28)12-11-17-14-27(13-15-7-3-1-4-8-15)26-19(17)16-9-5-2-6-10-16/h1-12,14,20H,13H2,(H2,23,29)(H2,24,30)(H,25,28)/b12-11+