(4-tert-butylphenyl)-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-(2-chloro-6-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-(2-chloro-6-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=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

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