(5-bromanyl-2-methoxy-3-methyl-phenyl)-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (5-bromanyl-2-methoxy-3-methyl-phenyl)-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (5-bromo-2-methoxy-3-methyl-phenyl)-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (5-bromo-2-methoxy-3-methylphenyl)-[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (5-bromo-2-methoxy-3-methylphenyl)-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (5-bromo-2-methoxy-3-methyl-phenyl)-[4-(4-methoxy-2-nitro-phenyl)piperazino]methanone Formula: C20H22BrN3O5 MolecularWeight: 464.30978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O5/c1-13-10-14(21)11-16(19(13)29-3)20(25)23-8-6-22(7-9-23)17-5-4-15(28-2)12-18(17)24(26)27/h4-5,10-12H,6-9H2,1-3H3