3-nitro-4-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzaldehyde

Systemtic Name: 3-nitro-4-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzaldehyde Openeye Name: 3-nitro-4-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzaldehyde CAS Name: 3-nitro-4-[4-[1-(4-phenoxyphenyl)ethyl]-1-piperazinyl]benzaldehyde IUPAC Name: 3-nitro-4-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzaldehyde Traditional Name: 3-nitro-4-[4-[1-(4-phenoxyphenyl)ethyl]piperazino]benzaldehyde Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC2=CC=CC=C2)N3CCN(CC3)C4=C(C=C(C=C4)C=O)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)OC2=CC=CC=C2)N3CCN(CC3)C4=C(C=C(C=C4)C=O)[N+](=O)[O-]

InChI

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