(E)-3-(4-nitrophenyl)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-nitrophenyl)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-nitrophenyl)-1-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-nitrophenyl)-1-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-nitrophenyl)-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-nitrophenyl)-1-[4-(6-piperidinopyrimidin-4-yl)piperazino]prop-2-en-1-one Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O3/c29-22(9-6-18-4-7-19(8-5-18)28(30)31)27-14-12-26(13-15-27)21-16-20(23-17-24-21)25-10-2-1-3-11-25/h4-9,16-17H,1-3,10-15H2/b9-6+