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

Systemtic Name: (4-tert-butylphenyl)-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[4-nitro-3-(4-phenyl-1-piperazinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-[4-nitro-3-(4-phenylpiperazino)phenyl]piperazino]methanone Formula: C31H37N5O3 MolecularWeight: 527.65718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=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/C31H37N5O3/c1-31(2,3)25-11-9-24(10-12-25)30(37)35-21-17-33(18-22-35)27-13-14-28(36(38)39)29(23-27)34-19-15-32(16-20-34)26-7-5-4-6-8-26/h4-14,23H,15-22H2,1-3H3