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

Systemtic Name: 3-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]benzamide Openeye Name: 3-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]benzamide CAS Name: 3-[[(E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 3-[[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide Traditional Name: 3-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acryloyl]amino]benzamide Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)NC3=CC=CC(=C3)C(=O)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)NC3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C21H20N4O2/c1-14-19(15(2)25(24-14)18-9-4-3-5-10-18)11-12-20(26)23-17-8-6-7-16(13-17)21(22)27/h3-13H,1-2H3,(H2,22,27)(H,23,26)/b12-11+