3-[[(E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]benzamide

Systemtic Name: 3-[[(E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]benzamide Openeye Name: 3-[[(E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoyl]amino]benzamide CAS Name: 3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 3-[[(E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoyl]amino]benzamide Traditional Name: 3-[[(E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)acryloyl]amino]benzamide Formula: C18H21ClN4O2 MolecularWeight: 360.83794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC2=CC=CC(=C2)C(=O)N)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC2=CC=CC(=C2)C(=O)N)Cl)CC(C)C

InChI

InChI=1S/C18H21ClN4O2/c1-11(2)10-23-17(19)15(12(3)22-23)7-8-16(24)21-14-6-4-5-13(9-14)18(20)25/h4-9,11H,10H2,1-3H3,(H2,20,25)(H,21,24)/b8-7+