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

Systemtic Name: (4-methyl-3-nitro-phenyl)-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]methanone Openeye Name: [4-(4-benzyloxyphenyl)piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: (4-methyl-3-nitrophenyl)-[4-(4-phenylmethoxyphenyl)-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]methanone Traditional Name: [4-(4-benzoxyphenyl)piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C25H25N3O4 MolecularWeight: 431.4837

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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)OCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O4/c1-19-7-8-21(17-24(19)28(30)31)25(29)27-15-13-26(14-16-27)22-9-11-23(12-10-22)32-18-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3