(E)-3-(1-methylpyrazol-4-yl)-1-[4-(phenylmethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(phenylmethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-(1-methyl-4-pyrazolyl)-1-[4-(phenylmethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-1-yl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazino)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Formula: C18H22N4O MolecularWeight: 310.39348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O/c1-20-14-17(13-19-20)7-8-18(23)22-11-9-21(10-12-22)15-16-5-3-2-4-6-16/h2-8,13-14H,9-12,15H2,1H3/b8-7+