1-[3-nitro-4-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(4-isopropylbenzoyl)piperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-(4-cumoylpiperazino)-3-nitro-phenyl]ethanone Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-15(2)17-4-6-18(7-5-17)22(27)24-12-10-23(11-13-24)20-9-8-19(16(3)26)14-21(20)25(28)29/h4-9,14-15H,10-13H2,1-3H3