[(2S)-4-(2-chloranyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

Systemtic Name: [(2S)-4-(2-chloranyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone Openeye Name: [(2S)-4-(2-chloro-4-nitro-phenyl)-2-methyl-piperazin-1-yl]-(5-methyl-3-phenyl-isoxazol-4-yl)methanone CAS Name: [(2S)-4-(2-chloro-4-nitrophenyl)-2-methyl-1-piperazinyl]-(5-methyl-3-phenyl-4-isoxazolyl)methanone IUPAC Name: [(2S)-4-(2-chloro-4-nitrophenyl)-2-methylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone Traditional Name: [(2S)-4-(2-chloro-4-nitro-phenyl)-2-methyl-piperazino]-(5-methyl-3-phenyl-isoxazol-4-yl)methanone Formula: C22H21ClN4O4 MolecularWeight: 440.87954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=C(ON=C2C3=CC=CC=C3)C)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C2=C(ON=C2C3=CC=CC=C3)C)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H21ClN4O4/c1-14-13-25(19-9-8-17(27(29)30)12-18(19)23)10-11-26(14)22(28)20-15(2)31-24-21(20)16-6-4-3-5-7-16/h3-9,12,14H,10-11,13H2,1-2H3/t14-/m0/s1