(4-tert-butylphenyl)-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-(4-chloro-2-nitro-phenyl)piperazino]methanone Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3/c1-21(2,3)16-6-4-15(5-7-16)20(26)24-12-10-23(11-13-24)18-9-8-17(22)14-19(18)25(27)28/h4-9,14H,10-13H2,1-3H3