(E)-1-(1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)-3-(4-ethanoyl-4-phenyl-piperidin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)-3-(4-ethanoyl-4-phenyl-piperidin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-acetyl-4-phenyl-1-piperidyl)-1-(1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-(4-acetyl-4-phenyl-1-piperidinyl)-1-(1-tert-butyl-3,5-dimethyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(4-acetyl-4-phenylpiperidin-1-yl)-1-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-acetyl-4-phenyl-piperidino)-1-(1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)prop-2-en-1-one Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)(C)C)C)C(=O)C=CN2CCC(CC2)(C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1C(C)(C)C)C)C(=O)/C=C/N2CCC(CC2)(C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C25H33N3O2/c1-18-23(19(2)28(26-18)24(4,5)6)22(30)12-15-27-16-13-25(14-17-27,20(3)29)21-10-8-7-9-11-21/h7-12,15H,13-14,16-17H2,1-6H3/b15-12+