(E)-3-(1-phenylpyrazol-4-yl)-1-(4-piperidin-1-ylcarbonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1-phenylpyrazol-4-yl)-1-(4-piperidin-1-ylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1-phenylpyrazol-4-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]-3-(1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(1-phenylpyrazol-4-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-phenylpyrazol-4-yl)-1-[4-(piperidine-1-carbonyl)piperazino]prop-2-en-1-one Formula: C22H27N5O2 MolecularWeight: 393.48208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2/c28-21(10-9-19-17-23-27(18-19)20-7-3-1-4-8-20)24-13-15-26(16-14-24)22(29)25-11-5-2-6-12-25/h1,3-4,7-10,17-18H,2,5-6,11-16H2/b10-9+