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

Systemtic Name: (E)-3-(4-nitrophenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-nitrophenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-nitrophenyl)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-nitrophenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-nitrophenyl)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]prop-2-en-1-one Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O3/c28-21(8-5-17-3-6-18(7-4-17)27(29)30)26-13-11-25(12-14-26)20-15-19(22-16-23-20)24-9-1-2-10-24/h3-8,15-16H,1-2,9-14H2/b8-5+