(3-chloranyl-4-methyl-phenyl)-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-4-methyl-phenyl)-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (3-chloro-4-methyl-phenyl)-[4-(3-morpholino-4-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (3-chloro-4-methylphenyl)-[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-4-methylphenyl)-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (3-chloro-4-methyl-phenyl)-[4-(3-morpholino-4-nitro-phenyl)piperazino]methanone Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4)Cl

InChI

InChI=1S/C22H25ClN4O4/c1-16-2-3-17(14-19(16)23)22(28)26-8-6-24(7-9-26)18-4-5-20(27(29)30)21(15-18)25-10-12-31-13-11-25/h2-5,14-15H,6-13H2,1H3