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

Systemtic Name: (E)-1-(4-methyl-2-phenyl-piperazin-1-yl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-1-(4-methyl-2-phenyl-piperazin-1-yl)prop-2-en-1-one CAS Name: (E)-1-(4-methyl-2-phenyl-1-piperazinyl)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-1-(4-methyl-2-phenyl-piperazino)prop-2-en-1-one Formula: C29H29N5O MolecularWeight: 463.57346

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)C=CC3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)/C=C/C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N5O/c1-32-17-18-34(27(22-32)24-11-6-3-7-12-24)28(35)15-14-26-21-33(20-23-9-4-2-5-10-23)31-29(26)25-13-8-16-30-19-25/h2-16,19,21,27H,17-18,20,22H2,1H3/b15-14+