(E)-N-butyl-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-butyl-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-N-butyl-3-[3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-butyl-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-butyl-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-N-butyl-3-[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]acrylamide Formula: C20H27N3O MolecularWeight: 325.44788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C=CC1=C(N(N=C1C)CC2=CC=C(C=C2)C)C

Isomeric SMILES

CCCCNC(=O)/C=C/C1=C(N(N=C1C)CC2=CC=C(C=C2)C)C

InChI

InChI=1S/C20H27N3O/c1-5-6-13-21-20(24)12-11-19-16(3)22-23(17(19)4)14-18-9-7-15(2)8-10-18/h7-12H,5-6,13-14H2,1-4H3,(H,21,24)/b12-11+