4-[[(E)-2-cyano-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]-N,N-dimethyl-benzamide

Systemtic Name: 4-[[(E)-2-cyano-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]-N,N-dimethyl-benzamide Openeye Name: 4-[[(E)-3-(1-benzylpyrazol-4-yl)-2-cyano-prop-2-enoyl]amino]-N,N-dimethyl-benzamide CAS Name: 4-[[(E)-2-cyano-1-oxo-3-[1-(phenylmethyl)-4-pyrazolyl]prop-2-enyl]amino]-N,N-dimethylbenzamide IUPAC Name: 4-[[(E)-3-(1-benzylpyrazol-4-yl)-2-cyanoprop-2-enoyl]amino]-N,N-dimethylbenzamide Traditional Name: 4-[[(E)-3-(1-benzylpyrazol-4-yl)-2-cyano-acryloyl]amino]-N,N-dimethyl-benzamide Formula: C23H21N5O2 MolecularWeight: 399.44514

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CN(N=C2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C23H21N5O2/c1-27(2)23(30)19-8-10-21(11-9-19)26-22(29)20(13-24)12-18-14-25-28(16-18)15-17-6-4-3-5-7-17/h3-12,14,16H,15H2,1-2H3,(H,26,29)/b20-12+