(E)-1-(4-ethanoylpiperazin-1-yl)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-ethanoylpiperazin-1-yl)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-acetylpiperazin-1-yl)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-(4-acetyl-1-piperazinyl)-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-acetylpiperazino)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)prop-2-en-1-one Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2/c1-20(30)27-14-16-28(17-15-27)24(31)13-12-23-19-29(18-21-8-4-2-5-9-21)26-25(23)22-10-6-3-7-11-22/h2-13,19H,14-18H2,1H3/b13-12+