1-morpholin-4-yl-4-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]butan-1-one

Systemtic Name: 1-morpholin-4-yl-4-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]butan-1-one Openeye Name: 1-morpholino-4-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]butan-1-one CAS Name: 1-(4-morpholinyl)-4-[4-nitro-3-(1-phenyl-4-pyrazolyl)-1-pyrazolyl]-1-butanone IUPAC Name: 1-morpholin-4-yl-4-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]butan-1-one Traditional Name: 1-morpholino-4-[4-nitro-3-(1-phenylpyrazol-4-yl)pyrazol-1-yl]butan-1-one Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCCN2C=C(C(=N2)C3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)CCCN2C=C(C(=N2)C3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O4/c27-19(23-9-11-30-12-10-23)7-4-8-24-15-18(26(28)29)20(22-24)16-13-21-25(14-16)17-5-2-1-3-6-17/h1-3,5-6,13-15H,4,7-12H2