(E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1,3-diphenyl-4-pyrazolyl)-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(6-nitro-3-pyridyl)piperazino]prop-2-en-1-one Formula: C27H24N6O3 MolecularWeight: 480.51786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)/C=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N6O3/c34-26(31-17-15-30(16-18-31)24-12-13-25(28-19-24)33(35)36)14-11-22-20-32(23-9-5-2-6-10-23)29-27(22)21-7-3-1-4-8-21/h1-14,19-20H,15-18H2/b14-11+