(4-ethoxyphenyl)-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (4-ethoxyphenyl)-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]methanone Openeye Name: (4-ethoxyphenyl)-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]methanone CAS Name: (4-ethoxyphenyl)-[4-[4-nitro-3-(4-phenyl-1-piperazinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-ethoxyphenyl)-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]methanone Traditional Name: [4-[4-nitro-3-(4-phenylpiperazino)phenyl]piperazino]-p-phenetyl-methanone Formula: C29H33N5O4 MolecularWeight: 515.60342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H33N5O4/c1-2-38-26-11-8-23(9-12-26)29(35)33-20-16-31(17-21-33)25-10-13-27(34(36)37)28(22-25)32-18-14-30(15-19-32)24-6-4-3-5-7-24/h3-13,22H,2,14-21H2,1H3