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

Systemtic Name: 1-[4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(2-methoxy-5-methyl-benzyl)piperazino]-3-nitro-phenyl]ethanone Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-15-4-7-21(28-3)18(12-15)14-22-8-10-23(11-9-22)19-6-5-17(16(2)25)13-20(19)24(26)27/h4-7,12-13H,8-11,14H2,1-3H3