[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(5-nitro-2-phenoxy-phenyl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(5-nitro-2-phenoxy-phenyl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(5-nitro-2-phenoxy-phenyl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-(5-nitro-2-phenoxyphenyl)methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(5-nitro-2-phenoxyphenyl)methanone Traditional Name: (5-nitro-2-phenoxy-phenyl)-(4-p-anisylpiperazino)methanone Formula: C25H25N3O5 MolecularWeight: 447.4831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O5/c1-32-21-10-7-19(8-11-21)18-26-13-15-27(16-14-26)25(29)23-17-20(28(30)31)9-12-24(23)33-22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3