(5-tert-butyl-2-methyl-furan-3-yl)-[(2S)-4-(2-chloranyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]methanone

Systemtic Name: (5-tert-butyl-2-methyl-furan-3-yl)-[(2S)-4-(2-chloranyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]methanone Openeye Name: (5-tert-butyl-2-methyl-3-furyl)-[(2S)-4-(2-chloro-4-nitro-phenyl)-2-methyl-piperazin-1-yl]methanone CAS Name: (5-tert-butyl-2-methyl-3-furanyl)-[(2S)-4-(2-chloro-4-nitrophenyl)-2-methyl-1-piperazinyl]methanone IUPAC Name: (5-tert-butyl-2-methylfuran-3-yl)-[(2S)-4-(2-chloro-4-nitrophenyl)-2-methylpiperazin-1-yl]methanone Traditional Name: (5-tert-butyl-2-methyl-3-furyl)-[(2S)-4-(2-chloro-4-nitro-phenyl)-2-methyl-piperazino]methanone Formula: C21H26ClN3O4 MolecularWeight: 419.90184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=C(OC(=C2)C(C)(C)C)C)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C2=C(OC(=C2)C(C)(C)C)C)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H26ClN3O4/c1-13-12-23(18-7-6-15(25(27)28)10-17(18)22)8-9-24(13)20(26)16-11-19(21(3,4)5)29-14(16)2/h6-7,10-11,13H,8-9,12H2,1-5H3/t13-/m0/s1