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

Systemtic Name: 2-chloranyl-4-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]benzamide Openeye Name: 2-chloro-4-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]benzamide CAS Name: 2-chloro-4-[[(E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 2-chloro-4-[[(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide Traditional Name: 2-chloro-4-[[(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acryloyl]amino]benzamide Formula: C21H19ClN4O2 MolecularWeight: 394.85416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O2/c1-13-17(14(2)26(25-13)16-6-4-3-5-7-16)10-11-20(27)24-15-8-9-18(21(23)28)19(22)12-15/h3-12H,1-2H3,(H2,23,28)(H,24,27)/b11-10+