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

Systemtic Name: (E)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(6-morpholinopyrimidin-4-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[6-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]-3-(4-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(6-morpholinopyrimidin-4-yl)piperazino]-3-(4-nitrophenyl)prop-2-en-1-one Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=NC=N2)N3CCOCC3)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=NC=N2)N3CCOCC3)C(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4/c28-21(6-3-17-1-4-18(5-2-17)27(29)30)26-9-7-24(8-10-26)19-15-20(23-16-22-19)25-11-13-31-14-12-25/h1-6,15-16H,7-14H2/b6-3+