(E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)-1-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)-1-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-nitro-1-cyclohexa-1,5-dienyl)-1-[4-[oxo(2-pyrazinyl)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-nitrocyclohexa-1,5-dien-1-yl)-1-(4-pyrazinoylpiperazino)prop-2-en-1-one Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)C=CC(=O)N2CCN(CC2)C(=O)C3=NC=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(=CC(=C1)/C=C/C(=O)N2CCN(CC2)C(=O)C3=NC=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O4/c24-17(5-4-14-2-1-3-15(12-14)23(26)27)21-8-10-22(11-9-21)18(25)16-13-19-6-7-20-16/h2,4-7,12-13H,1,3,8-11H2/b5-4+