4-[[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]methyl]benzamide

Systemtic Name: 4-[[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]methyl]benzamide Openeye Name: 4-[[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]methyl]benzamide CAS Name: 4-[[[(E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]methyl]benzamide IUPAC Name: 4-[[[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]methyl]benzamide Traditional Name: 4-[[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acryloyl]amino]methyl]benzamide Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)NCC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)NCC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H22N4O2/c1-15-20(16(2)26(25-15)19-6-4-3-5-7-19)12-13-21(27)24-14-17-8-10-18(11-9-17)22(23)28/h3-13H,14H2,1-2H3,(H2,23,28)(H,24,27)/b13-12+