(E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-piperidin-1-ylcarbonylpiperidin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-(4-piperidin-1-ylcarbonylpiperidin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(piperidine-1-carbonyl)-1-piperidyl]prop-2-en-1-one CAS Name: (E)-3-(1,3-diphenyl-4-pyrazolyl)-1-[4-[oxo(1-piperidinyl)methyl]-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(piperidine-1-carbonyl)piperidino]prop-2-en-1-one Formula: C29H32N4O2 MolecularWeight: 468.58998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H32N4O2/c34-27(31-20-16-24(17-21-31)29(35)32-18-8-3-9-19-32)15-14-25-22-33(26-12-6-2-7-13-26)30-28(25)23-10-4-1-5-11-23/h1-2,4-7,10-15,22,24H,3,8-9,16-21H2/b15-14+