[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)COC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)COC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c1-17(26)23-9-11-24(12-10-23)20(27)16-29-21(28)8-7-19-13-22-25(15-19)14-18-5-3-2-4-6-18/h2-8,13,15H,9-12,14,16H2,1H3/b8-7+