(E)-N-(1-adamantyl)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(1-adamantyl)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-N-(1-adamantyl)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-(1-adamantyl)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-(1-adamantyl)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-N-(1-adamantyl)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)acrylamide Formula: C21H30ClN3O MolecularWeight: 375.9354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC23CC4CC(C2)CC(C4)C3)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC23CC4CC(C2)CC(C4)C3)Cl)CC(C)C

InChI

InChI=1S/C21H30ClN3O/c1-13(2)12-25-20(22)18(14(3)24-25)4-5-19(26)23-21-9-15-6-16(10-21)8-17(7-15)11-21/h4-5,13,15-17H,6-12H2,1-3H3,(H,23,26)/b5-4+